Capsicum annuum
Table of Contents
Details Top
Internal ID | UUID644040fdce6dd083386440 |
Scientific name | Capsicum annuum |
Authority | L. |
First published in | Sp. Pl. 188. 1753 |
Description Top
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Synonyms Top
Scientific name | Authority | First published in |
---|---|---|
Capsicum abyssinicum | A.Rich. | Tent. Fl. Abyss. 2: 96. 1850 |
Capsicum annuum | L. | |
Capsicum annuum var. annuum | L. | |
Capsicum annuum var. aviculare | (Dierb.) D'Arcy & Eshbaugh | Phytologia 25(6): 350. 1973. |
Capsicum axi | Vell. | Fl. Flumin. 61. 1829 [1825]; Fl. Flumin. Icon. 2: t. 6. 1831 [1827]. |
Capsicum cerasiforme | Mill. | Gard. Dict., ed. 8. n. 5. 1768 [16 Apr 1768] |
Capsicum grossum | L. | Mant. Pl. 47. 1767 [15-31 Oct 1767] |
Capsicum longum | DC. | Cat. Pl. Horti Monsp. 86. 1813 |
Capsicum petenense | Standl. | Publ. Carnegie Inst. Wash. 461: 84. 1935 |
Capsicum silvestre | Vell. | Fl. Flumin. 60. 1829 [1825] Fl. Flumin. Icon. 2: t. 1. 1831 [1827] |
Common names Top
Add a new one! Suggest a correction!Language | Common/alternative name |
---|---|
English | pepper |
English | cayenne pepper |
Spanish | chile |
Spanish | ají |
Spanish | pimiento morrón |
Afrikaans | paprika |
Akan | mako |
Arabic | فليفلة حولية |
Azerbaijani | birillik istiot |
Azerbaijani | capsicum annum |
Azerbaijani | saplaqlı istiot |
ba | Ҡыҙыл борос |
bar | paprika |
bar | peperóni |
Belarusian | перац агароднінны |
Bulgarian | Пипер |
Bulgarian | пипер |
Bosnian | paprika |
cdo | huăng-ciĕu |
co | pivaronu |
Czech | paprika setá |
Czech | paprika roční |
Welsh | pupryn melys |
Welsh | c. rubella |
Danish | spansk peber |
German | paprika |
German | spanischer pfeffer |
Ewe | atadi |
Greek | Πιπεριά |
Greek | πιπεριά |
Estonian | harilik paprika |
Basque | capsicum anuum |
Basque | piper |
Persian | فلفل آنوم |
Finnish | paprika |
Finnish | ruokapaprika |
French | piment |
French | poivron |
frr | paprika |
frr | spoonsk pöber |
Hausa | barkono |
hak | 青椒 |
hak | tshiâng-tséu |
Hebrew | פלפל |
Hungarian | termesztett paprika |
Hungarian | közönséges paprika |
Armenian | Տաքդեղ |
Indonesian | paprika |
Japanese | トウガラシ |
Japanese | 唐辛子 |
kg | pili-pili ya mputu |
Kazakh | қызыл бұрыш |
Korean | 당추 |
Korean | 고추 |
ku | hîçhar |
lad | piminton |
Lithuanian | vienametė paprika |
Latvian | dārzeņpipars |
Macedonian | Пиперка |
Malayalam | മുളക് |
Malayalam | വറ്റൽ മുളക് |
Malay | cili besar |
Norwegian Bokmål | spansk pepper |
Norwegian Bokmål | paprika |
Dutch | spaanse peper |
Dutch | paprika |
Norwegian Nynorsk | paprika |
Polish | papryka roczna |
Portuguese | pimentão |
Portuguese | pimento |
Quechua | wata uchu |
Romanian | ardei |
Russian | перец овощной |
Russian | перец стручковый |
Russian | капсикум однолетний |
Russian | красный перец |
Russian | паприка |
Russian | перец сладкий |
Russian | стручковый перец |
rup | pipercâ |
Kinyarwanda | puwavuro |
sat | ᱢᱟᱹᱨᱤᱪ |
sc | piberone |
Sango | kötä-ndôngô |
Slovak | paprika ročná |
Slovenian | paprika |
Albanian | speci |
Serbian | Паприка |
Swedish | spanskpeppar |
Tamil | சீமை மிளகாய் |
Telugu | కాప్సికం ఆనం |
tg | Қаламфур |
Thai | พริกชี้ฟ้า |
ug | مۇچ |
Ukrainian | овочевий перець |
Uzbek | shirin qalampir |
za | lwgmanh |
Chinese | 小米辣 |
Chinese | 指天椒 |
Chinese | 朝天椒(变种) |
Chinese | 簇生椒 |
Chinese | 米椒 |
Chinese | 辣椒 |
Chinese | 辣椒(小米辣) |
Chinese | 辣椒叶 |
Chinese | 辣椒头 |
Chinese | 辣椒茎 |
Chinese | 野生小米辣 |
Chinese | 牛角椒 |
Chinese | 长辣椒 |
Varieties (abbr. var.) Top
Add a new one! Suggest a correction!Name | Authority | First published in |
---|---|---|
Capsicum annuum var. glabriusculum | (Dunal) Heiser & Pickersgill | Baileya 19: 156. 1975 |
Germination/Propagation Top
Suggest a correction or add new data!Sow seeds at 20°C, expecting germination within 3 months without further temperature treatment. |
Distribution (via POWO/KEW) Top
Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
-
Africa click to expand
-
East Tropical Africa
- Kenya
- Tanzania
- Uganda
-
Macaronesia
- Canary Islands
- Cape Verde
- Madeira
-
Northeast Tropical Africa
- Chad
- Djibouti
- Eritrea
- Ethiopia
- Somalia
-
Northern Africa
- Algeria
- Morocco
- Tunisia
-
South Tropical Africa
- Angola
- Zambia
- Zimbabwe
-
Southern Africa
- Botswana
- Northern Provinces
-
West Tropical Africa
- Benin
- Gambia
- Ghana
- Guinea-Bissau
- Ivory Coast
- Mali
- Niger
- Nigeria
- Senegal
- Sierra Leone
- Togo
-
West-central Tropical Africa
- Burundi
- Cameroon
- Central African Republic
- Congo
- Equatorial Guinea
- Gabon
- Gulf Of Guinea Islands
- Zaïre
-
Western Indian Ocean
- Aldabra
- Comoros
- Madagascar
- Mauritius
- Rodrigues
- Réunion
-
East Tropical Africa
-
Asia-temperate click to expand
-
Arabian Peninsula
- Oman
-
Eastern Asia
- Kazan-retto
- Korea
-
Middle Asia
- Kazakhstan
- Tadzhikistan
- Turkmenistan
- Uzbekistan
-
Western Asia
- Turkey
-
Arabian Peninsula
-
Asia-tropical click to expand
-
Indian Subcontinent
- Assam
- Bangladesh
- East Himalaya
- India
- Maldives
- Nepal
- Pakistan
- Sri Lanka
- West Himalaya
-
Indo-China
- Andaman Islands
- Cambodia
- Laos
- Myanmar
- Nicobar Nicobar
- Vietnam
-
Malesia
- Borneo
- Jawa
- Philippines
- Sulawesi
-
Papuasia
- Bismarck Archipelago
- New Guinea
- Solomon Islands
-
Indian Subcontinent
-
Australasia click to expand
-
Australia
- New South Wales
- Northern Territory
- Queensland
-
Australia
-
Europe click to expand
-
Eastern Europe
- South European Russia
-
Middle Europe
- Austria
-
Southeastern Europe
- Bulgaria
- Greece
-
Eastern Europe
-
Northern America click to expand
-
Mexico
- Mexico Central
- Mexico Gulf
- Mexico Northeast
- Mexico Northwest
- Mexico Southeast
- Mexico Southwest
-
Northeastern U.S.A.
- New York
-
Southeastern U.S.A.
- Alabama
- Maryland
-
Mexico
-
Pacific click to expand
-
Northwestern Pacific
- Caroline Islands
- Marianas
- Marshall Islands
- Wake Island
-
South-central Pacific
- Cook Islands
- Line Islands
- Marquesas
- Society Islands
- Tuamotu
-
Southwestern Pacific
- Fiji
- Gilbert Islands
- Vanuatu
-
Northwestern Pacific
-
Southern America click to expand
-
Brazil
- Brazil North
- Brazil Northeast
-
Caribbean
- Bahamas
- Cayman Islands
- Cuba
- Dominican Republic
- Haiti
- Leeward Islands
- Puerto Rico
- Southwest Caribbean
- Trinidad-Tobago
- Turks-caicos Islands
- Windward Islands
-
Central America
- Belize
- Costa Rica
- El Salvador
- Guatemala
- Honduras
- Panamá
-
Northern South America
- Guyana
- Suriname
- Venezuela
-
Western South America
- Bolivia
- Colombia
- Ecuador
- Galápagos
- Peru
-
Brazil
Links to other databases Top
Suggest others/fix!Database | ID/link to page |
---|---|
World Flora Online | wfo-0001019982 |
UNII | 7FKZ3QQQ1F |
Flora of Alabama | 3530 |
USDA Plants | CAAN4 |
Tropicos | 29600002 |
INPN | 87873 |
Flora of Italy | 4726 |
KEW | urn:lsid:ipni.org:names:316944-2 |
The Plant List | kew-2698415 |
Missouri Botanical Garden | 287148 |
Open Tree Of Life | 473836 |
Observations.org | 6522 |
NCBI Taxonomy | 4072 |
NBN Atlas | NBNSYS0000033294 |
Nature Serve | 2.144407 |
IUCN Red List | 100895534 |
IPNI | 316944-2 |
iNaturalist | 48514 |
iNaturalist | 239733 |
GBIF | 2932944 |
Freebase | /m/0515qg |
EPPO | CPSAN |
EOL | 581098 |
Elurikkus | 3372 |
Calflora (Californian flora) | 8745 |
US Library of Congress | sh85099673 |
USDA GRIN | 8904 |
Wikipedia | Capsicum_annuum |
CMAUP | NPO16501 |
Genomes (via NCBI) Top
Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.
If you wish to browse all genomes for this plant click here.
Accession | Assembly | |||||
---|---|---|---|---|---|---|
Name | Level | Submitter | Released | Coverage | Size | |
GCF_002878395.1 | UCD10Xv1.1 | Chromosome | University of California, Davis | 2018-01-30 | 56.0x | 2.99 Gb |
Scientific Literature Top
Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.
If you wish to see all the related articles click here.
Phytochemical Profile Top
Add a new one!
Below are displayed the proven (via scientific papers) natural compounds!
You can also contribute to this by clicking here.
You can also contribute to this by clicking here.
Name | PubChem ID | Canonical SMILES | MW | Found in | Proof |
---|---|---|---|---|---|
> Alkaloids and derivatives | |||||
Piperine | 638024 | Click to see C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 | 285.34 | unknown | https://doi.org/10.1016/S0021-9673(01)89200-1 |
> Alkaloids and derivatives / Harmala alkaloids | |||||
Harman | 5281404 | Click to see CC1=NC=CC2=C1NC3=CC=CC=C23 | 182.22 | unknown | via CMAUP database |
> Alkaloids and derivatives / Yohimbine alkaloids | |||||
Rauniticine | 72338 | Click to see CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 | 352.40 | unknown | via CMAUP database |
> Benzenoids | |||||
(R)-ar-Himachalene | 11469749 | Click to see CC1CCCC(C2=C1C=CC(=C2)C)(C)C | 202.33 | unknown | via CMAUP database |
(S)-2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene | 11117119 | Click to see CC1CCCC(C2=C1C=CC(=C2)C)(C)C | 202.33 | unknown | via CMAUP database |
Arhimachalene | 11458355 | Click to see CC1CCCC(C2=C1C=CC(=C2)C)(C)C | 202.33 | unknown | via CMAUP database |
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones | |||||
1,5,6-Trihydroxy-2-methyl-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione | 162861202 | Click to see CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)O)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O | 580.50 | unknown | https://doi.org/10.1021/JF010338S |
> Benzenoids / Benzene and substituted derivatives | |||||
Benzaldehyde, oxime, (Z)- | 5324470 | Click to see C1=CC=C(C=C1)C=NO | 121.14 | unknown | via CMAUP database |
Benzene | 241 | Click to see C1=CC=CC=C1 | 78.11 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Aniline and substituted anilines | |||||
Diphenylamine | 11487 | Click to see C1=CC=C(C=C1)NC2=CC=CC=C2 | 169.22 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzenesulfonamides | |||||
Glimepiride | 3476 | Click to see CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C | 490.60 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzamides | |||||
4-Carbamoyl-2-methylbenzoate | 90475391 | Click to see CC1=C(C=CC(=C1)C(=O)N)C(=O)[O-] | 178.16 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters | |||||
Dioctyl phthalate | 8346 | Click to see CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC | 390.60 | unknown | https://doi.org/10.1007/S10600-011-0028-9 |
Methyl benzoate | 7150 | Click to see COC(=O)C1=CC=CC=C1 | 136.15 | unknown | https://doi.org/10.1016/J.FCT.2012.11.036 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Benzoic acid esters / o-Hydroxybenzoic acid esters | |||||
Methyl Salicylate | 4133 | Click to see COC(=O)C1=CC=CC=C1O | 152.15 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / O-methoxybenzoic acids and derivatives | |||||
2-Methoxybenzoate | 6950218 | Click to see COC1=CC=CC=C1C(=O)[O-] | 151.14 | unknown | via CMAUP database |
2-Methoxybenzoic acid | 11370 | Click to see COC1=CC=CC=C1C(=O)O | 152.15 | unknown | https://doi.org/10.1021/JF991375A |
> Benzenoids / Benzene and substituted derivatives / Benzophenones | |||||
Benzophenone | 3102 | Click to see C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 | 182.22 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives | |||||
Benzaldehyde | 240 | Click to see C1=CC=C(C=C1)C=O | 106.12 | unknown |
https://doi.org/10.1021/JF980653N https://doi.org/10.1006/JFCA.1997.0535 |
> Benzenoids / Benzene and substituted derivatives / Benzylethers | |||||
2-[2-(6-Bromohexyloxy)ethoxymethyl]-1,3-dichlorobenzene | 66844903 | Click to see C1=CC(=C(C(=C1)Cl)COCCOCCCCCCBr)Cl | 384.10 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives | |||||
6'',7''-Dihydro-5',5'''-dicapsaicin | 10483873 | Click to see CC(C)CCCCCCC(=O)NCC1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)CNC(=O)CCCCC=CC(C)C)OC)O | 610.80 | unknown | https://doi.org/10.1021/NP020465Y |
N-[[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(8-methylnon-6-enoylamino)methyl]phenyl]-5-methoxyphenyl]methyl]-8-methylnonanamide | 85155590 | Click to see CC(C)CCCCCCC(=O)NCC1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)CNC(=O)CCCCC=CC(C)C)OC)O | 610.80 | unknown | https://doi.org/10.1021/NP020465Y |
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives / Benzidines | |||||
Benzidine | 7111 | Click to see C1=CC(=CC=C1C2=CC=C(C=C2)N)N | 184.24 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes | |||||
Phenylacetaldehyde | 998 | Click to see C1=CC=C(C=C1)CC=O | 120.15 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes | |||||
2,4-Di-tert-butylphenol | 7311 | Click to see CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C | 206.32 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Styrenes | |||||
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide | 72957130 | Click to see C1=CC(=CC=C1C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O | 299.32 | unknown | https://doi.org/10.1080/00021369.1981.10864909 |
Styrene | 7501 | Click to see C=CC1=CC=CC=C1 | 104.15 | unknown | via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Toluenes | |||||
Toluene | 1140 | Click to see CC1=CC=CC=C1 | 92.14 | unknown | via CMAUP database |
> Benzenoids / Naphthalenes | |||||
1-Naphthylamine | 8640 | Click to see C1=CC=C2C(=C1)C=CC=C2N | 143.18 | unknown | https://doi.org/10.1021/JF4003973 |
Naphthalene | 931 | Click to see C1=CC=C2C=CC=CC2=C1 | 128.17 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Benzenoids / Naphthalenes / Naphthoquinones | |||||
(2S,3R)-5,8-dihydroxy-2-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6-methoxy-2,3-dihydronaphthalene-1,4-dione | 162963448 | Click to see CC(CC1C(C(=O)C2=C(C1=O)C(=C(C=C2O)OC)O)CO)O | 310.30 | unknown | https://doi.org/10.1002/HLCA.19980810534 |
7,9-Dibromo-6-hydroxy-3a,8-dimethyl-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4,5-dione | 85154147 | Click to see CC1=C(C2=C(C(=C1Br)O)C(=O)C(=O)C3(C2C(CC3)C(C)C)C)Br | 444.20 | unknown | https://doi.org/10.1016/J.TETLET.2007.10.091 |
> Benzenoids / Naphthalenes / Phenylnaphthalenes | |||||
(2R)-2-[3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-dihydronaphthalene-1-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid | 76324956 | Click to see C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C2C(C(=CC3=C2C(=C(C=C3)O)O)C(=O)OC(CC4=CC(=C(C=C4)O)O)C(=O)O)C5=CC(=C(C=C5)O)O)O)O | 718.60 | unknown |
https://doi.org/10.1002/HLCA.19960790516 https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1002/HLCA.19910740416 |
> Benzenoids / Phenanthrenes and derivatives / Hydrophenanthrenes | |||||
2,6-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1,7-dimethyl- | 10038555 | Click to see CC1=CC2=C(C3=C(CC2)C(=C(C=C3)O)C)C(=C1O)C=C | 266.30 | unknown | https://doi.org/10.1002/HLCA.19980810534 |
5-(1-Ethoxyethyl)-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol | 5317230 | Click to see CCOC(C)C1=CC(=C(C2=C1C3=C(CC2)C(=C(C=C3)O)C)C)OC | 326.40 | unknown | https://doi.org/10.1021/NP030400A |
> Benzenoids / Phenol ethers / Anisoles | |||||
Anisole | 7519 | Click to see COC1=CC=CC=C1 | 108.14 | unknown | via CMAUP database |
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids | |||||
Phenol | 996 | Click to see C1=CC=C(C=C1)O | 94.11 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Benzenoids / Phenols / Cresols / Ortho cresols | |||||
o-Cresol | 335 | Click to see CC1=CC=CC=C1O | 108.14 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Benzenoids / Phenols / Cresols / Para cresols | |||||
P-Cresol | 2879 | Click to see CC1=CC=C(C=C1)O | 108.14 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Benzenoids / Phenols / Methoxyphenols | |||||
(7S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methylnonanamide | 162908141 | Click to see CCC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 307.40 | unknown | https://doi.org/10.1007/S10600-011-9813-8 |
(8S)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldecanamide | 163017424 | Click to see CCC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 321.50 | unknown |
https://doi.org/10.1055/S-0028-1097241 https://doi.org/10.1007/S10600-011-9813-8 |
(E,8R)-9-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide | 96361207 | Click to see CC(CO)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 321.40 | unknown | https://doi.org/10.1021/NP020465Y |
(E,8R)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide | 163189177 | Click to see CCC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 319.40 | unknown | https://doi.org/10.1055/S-0028-1097241 |
(E,8S)-9-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide | 96361209 | Click to see CC(CO)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 321.40 | unknown | https://doi.org/10.1021/NP020465Y |
(Z)-Homocapsaicin | 13923918 | Click to see CC(C)C=CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 319.40 | unknown | via CMAUP database |
2-[(4-Hydroxy-3-methoxyphenyl)methyl]decanamide | 68625712 | Click to see CCCCCCCCC(CC1=CC(=C(C=C1)O)OC)C(=O)N | 307.40 | unknown | https://doi.org/10.1021/JF00077A032 |
2-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide | 66978549 | Click to see CCCCCCC(CC1=CC(=C(C=C1)O)OC)C(=O)N | 279.37 | unknown | https://doi.org/10.1021/JF00077A032 |
2-Methoxy-4-methylphenol | 7144 | Click to see CC1=CC(=C(C=C1)O)OC | 138.16 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
2-Methoxy-5-methylphenol | 14519 | Click to see CC1=CC(=C(C=C1)OC)O | 138.16 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
4-Ethyl-2-methoxyphenol | 62465 | Click to see CCC1=CC(=C(C=C1)O)OC | 152.19 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
5-Ethyl-2-methoxyphenol | 3083782 | Click to see CCC1=CC(=C(C=C1)OC)O | 152.19 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
7-Decenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyl- | 181181 | Click to see CC(C)C=CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 319.40 | unknown | https://doi.org/10.1007/S10600-011-9813-8 |
8-Methylnonanoic acid (E)-3-(3-methoxy-4-hydroxyphenyl)-2-propenyl ester | 17754750 | Click to see CC(C)CCCCCCC(=O)OCC=CC1=CC(=C(C=C1)O)OC | 334.40 | unknown | via CMAUP database |
9-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide | 73805210 | Click to see CC(CO)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 321.40 | unknown | https://doi.org/10.1021/NP020465Y |
9,12-Octadecadienamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-, (E,E)- | 6507149 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 415.60 | unknown | via CMAUP database |
Capsaicin | 1548943 | Click to see CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 305.40 | unknown |
https://doi.org/10.1002/PTR.1328 https://doi.org/10.1016/S0031-9422(00)83744-9 https://doi.org/10.1016/S0021-9673(01)82075-6 https://doi.org/10.1556/AALIM.30.2001.4.6 https://doi.org/10.1093/JAOAC/82.6.1399 https://doi.org/10.1021/JF00042A010 https://doi.org/10.1021/JF00024A024 https://doi.org/10.1271/BBB.58.1141 https://doi.org/10.1007/BF03263255 https://doi.org/10.1021/JF900634S https://doi.org/10.1007/S10600-011-9813-8 https://doi.org/10.1111/J.1600-0625.2011.01433.X https://doi.org/10.1007/S10535-008-0100-X https://doi.org/10.1007/BF00563815 https://doi.org/10.1007/BF02236442 https://doi.org/10.1016/S0378-8741(98)00134-2 https://doi.org/10.1039/C4FO00435C https://doi.org/10.1093/JAOAC/79.3.738 https://doi.org/10.1271/BBB.69.1951 https://doi.org/10.1021/NP50126A021 https://doi.org/10.1021/JF00077A032 https://doi.org/10.1300/J044V03N02_08 https://doi.org/10.1016/J.FOODCHEM.2005.11.026 https://doi.org/10.1007/S10600-011-0028-9 https://doi.org/10.1021/IE00022A007 https://doi.org/10.1021/JF00110A027 https://doi.org/10.1055/S-2006-961455 https://doi.org/10.1016/S0021-9673(01)89200-1 https://doi.org/10.1007/BF00048188 https://doi.org/10.1021/JF60214A035 https://doi.org/10.1007/BF02720022 https://doi.org/10.1021/JF00012A031 https://doi.org/10.30901/978-5-907145-28-3 |
Capsiconiate | 17754707 | Click to see CC(C)C=CCCCCC(=O)OCC=CC1=CC(=C(C=C1)O)OC | 332.40 | unknown | https://doi.org/10.1021/JF900634S |
Dihydrocapsaicin | 107982 | Click to see CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 307.40 | unknown |
https://doi.org/10.1021/JF900634S https://doi.org/10.1093/JAOAC/82.6.1399 https://doi.org/10.1007/S10535-008-0100-X https://doi.org/10.1021/JF00024A024 https://doi.org/10.1021/JF00077A032 https://doi.org/10.1016/J.FOODCHEM.2005.11.026 https://doi.org/10.1016/S0021-9673(01)89200-1 https://doi.org/10.1021/JF00042A010 https://doi.org/10.1021/JF00110A027 https://doi.org/10.1007/S10600-011-9813-8 https://doi.org/10.1093/JAOAC/79.3.738 https://doi.org/10.1556/AALIM.30.2001.4.6 https://doi.org/10.1021/JF00012A031 https://doi.org/10.1271/BBB.58.1141 https://doi.org/10.1021/NP50126A021 |
Dihydrocapsiate | 9873754 | Click to see CC(C)CCCCCCC(=O)OCC1=CC(=C(C=C1)O)OC | 308.40 | unknown | via CMAUP database |
Guaiacol | 460 | Click to see COC1=CC=CC=C1O | 124.14 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
Hexadecanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]- | 9952407 | Click to see CCCCCCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 391.60 | unknown | via CMAUP database |
Homocapsaicin | 6442566 | Click to see CC(C)C=CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 319.40 | unknown |
https://doi.org/10.1021/NP50126A021 https://doi.org/10.1021/JF00012A031 https://doi.org/10.1021/JF00077A032 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269802/ https://doi.org/10.1021/JF00110A027 https://doi.org/10.1007/S10600-011-9813-8 |
Homocapsaicin II | 11674147 | Click to see CCC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 319.40 | unknown | https://doi.org/10.1007/S10535-008-0100-X |
Homodihydrocapsaicin | 3084336 | Click to see CC(C)CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 321.50 | unknown |
https://doi.org/10.1055/S-0028-1097241 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6269802/ https://doi.org/10.1007/S10600-011-9813-8 https://doi.org/10.1007/S10535-008-0100-X |
HomodihydrocapsaicinII | 11688359 | Click to see CCC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 321.50 | unknown |
https://doi.org/10.1055/S-0028-1097241 https://doi.org/10.1007/S10600-011-9813-8 https://doi.org/10.1007/S10535-008-0100-X |
N-((4-Hydroxy-3-methoxyphenyl)methyl)undecanamide | 206278 | Click to see CCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 321.50 | unknown | https://doi.org/10.1007/S10600-011-9813-8 |
N-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methyloctanamide | 5320207 | Click to see CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)OC)O | 293.40 | unknown | via CMAUP database |
N-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methylhept-4-enamide | 181309 | Click to see CC(C)C=CCCC(=O)NCC1=CC(=C(C=C1)O)OC | 277.36 | unknown | https://doi.org/10.1007/S10600-011-9813-8 |
N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methylnonanamide | 101405335 | Click to see CCC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 307.40 | unknown | https://doi.org/10.1007/S10600-011-9813-8 |
N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide | 181308 | Click to see CC(C)C=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 291.40 | unknown | https://doi.org/10.1007/S10600-011-9813-8 |
N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide | 2548 | Click to see CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 305.40 | unknown |
https://doi.org/10.1007/S10600-011-0028-9 https://doi.org/10.1007/BF02236442 https://doi.org/10.1007/BF00563815 https://doi.org/10.1007/S10600-011-9813-8 |
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide | 57016672 | Click to see CCC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 319.40 | unknown | https://doi.org/10.1055/S-0028-1097241 |
N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-6-enamide | 78070862 | Click to see CC(C)CC=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 319.40 | unknown |
https://doi.org/10.1055/S-0028-1097241 https://doi.org/10.1007/S10600-011-9813-8 |
N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide | 3064530 | Click to see CCC=CCC=CCC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 413.60 | unknown | via CMAUP database |
N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide | 5316427 | Click to see CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 279.37 | unknown | https://doi.org/10.1055/S-0028-1097241 |
N-Trans-feruloyltramine | 5280537 | Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O | 313.30 | unknown |
https://doi.org/10.1021/NP0305472 https://doi.org/10.1080/00021369.1981.10864909 |
N-Vanillyl-9-methyl-6-decenamide | 71448975 | Click to see CC(C)CC=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 319.40 | unknown |
https://doi.org/10.1055/S-0028-1097241 https://doi.org/10.1007/S10600-011-9813-8 https://doi.org/10.1007/S10535-008-0100-X |
N-Vanillyldecanamide | 169252 | Click to see CCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 307.40 | unknown | https://doi.org/10.1055/S-0028-1097241 |
N-vanillylmyristamide | 9950914 | Click to see CCCCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 363.50 | unknown | via CMAUP database |
Nonivamide | 2998 | Click to see CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 293.40 | unknown |
https://doi.org/10.1021/NP9600816 https://doi.org/10.1007/S10535-008-0100-X |
Norcapsaicin | 6442577 | Click to see CC(C)C=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 291.40 | unknown |
https://doi.org/10.1021/NP50126A021 https://doi.org/10.1007/S10600-011-9813-8 |
Nordihydrocapsaicin | 168836 | Click to see CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 293.40 | unknown |
https://doi.org/10.1021/JF00077A032 https://doi.org/10.1007/S10600-011-9813-8 https://doi.org/10.1007/S10535-008-0100-X |
Nordihydrocapsiate | 9817607 | Click to see CC(C)CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC | 294.40 | unknown | https://doi.org/10.1021/NP9803373 |
Nornorcapsaicin | 6442578 | Click to see CC(C)C=CCCC(=O)NCC1=CC(=C(C=C1)O)OC | 277.36 | unknown | https://doi.org/10.1007/S10600-011-9813-8 |
Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)- | 3024455 | Click to see CCCCCCCCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 419.60 | unknown | via CMAUP database |
Olvanil | 5311093 | Click to see CCCCCCCCC=CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 417.60 | unknown | via CMAUP database |
Vanillyl alcohol | 62348 | Click to see COC1=C(C=CC(=C1)CO)O | 154.16 | unknown | https://doi.org/10.1021/JF980135C |
Vanillylamine | 70966 | Click to see COC1=C(C=CC(=C1)CN)O | 153.18 | unknown |
https://doi.org/10.1556/AALIM.30.2001.4.6 https://doi.org/10.1271/BBB.58.1141 |
Zucapsaicin | 1548942 | Click to see CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC | 305.40 | unknown | via CMAUP database |
> Benzenoids / Phenols / Methoxyphenols / Gingerdiols | |||||
1-Vanilloylglucose | 129650927 | Click to see COC1=C(C=CC(=C1)C(=O)C(=O)C(C(C(C(CO)O)O)O)O)O | 330.29 | unknown | https://doi.org/10.1016/0031-9422(88)80121-3 |
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons | |||||
3,3-Dimethyl-9-methylidenetricyclo[5.4.0.02,8]undecane | 524195 | Click to see CC1(CCCC2C3C1C2C(=C)CC3)C | 190.32 | unknown | via CMAUP database |
7-Propylidene-bicyclo[4.1.0]heptane | 556456 | Click to see CCC=C1C2C1CCCC2 | 136.23 | unknown | via CMAUP database |
gamma-Terpinene | 7461 | Click to see CC1=CCC(=CC1)C(C)C | 136.23 | unknown | via CMAUP database |
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins / Cycloalkenes | |||||
Ectocarpene | 6440990 | Click to see CCC=CC1CC=CCC=C1 | 148.24 | unknown | via CMAUP database |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 7,9-epoxylignans | |||||
4-[[(4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol | 52940260 | Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O | 360.40 | unknown | via CMAUP database |
Lariciresinol | 332427 | Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O | 360.40 | unknown | https://doi.org/10.1021/NP0305472 |
Tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-3-furanmethanol | 134203 | Click to see COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O | 360.40 | unknown | https://doi.org/10.1021/NP0305472 |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans | |||||
Matairesinol | 119205 | Click to see COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)O | 358.40 | unknown | https://doi.org/10.1016/J.FOODCHEM.2009.03.002 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters | |||||
(S)-Ethyl 2-methylbutanoate | 6429107 | Click to see CCC(C)C(=O)OCC | 130.18 | unknown | via CMAUP database |
3-Hexenyl 2-methylbutanoate | 6165108 | Click to see CCC=CCCOC(=O)C(C)CC | 184.27 | unknown | via CMAUP database |
3-methylbutyl (E)-hex-3-enoate | 91746443 | Click to see CCC=CCC(=O)OCCC(C)C | 184.27 | unknown | via CMAUP database |
3-Methylbutyl 2-methylbutanoate | 520326 | Click to see CCC(C)C(=O)OCCC(C)C | 172.26 | unknown | via CMAUP database |
3-Methylbutyl 4-methylpentanoate | 530283 | Click to see CC(C)CCC(=O)OCCC(C)C | 186.29 | unknown | via CMAUP database |
3-Methylbutyl pentanoate | 74901 | Click to see CCCCC(=O)OCCC(C)C | 172.26 | unknown | via CMAUP database |
4-Methylhexyl 2-methylbutanoate | 86043729 | Click to see CCC(C)CCCOC(=O)C(C)CC | 200.32 | unknown | via CMAUP database |
4-Methylhexyl 3-methylbutanoate | 91695409 | Click to see CCC(C)CCCOC(=O)CC(C)C | 200.32 | unknown | via CMAUP database |
4-Methylpentyl 4-methylpentanoate | 88168807 | Click to see CC(C)CCCOC(=O)CCC(C)C | 200.32 | unknown | via CMAUP database |
4-Methylpentyl 8-methylnonanoate | 91691679 | Click to see CC(C)CCCCCCC(=O)OCCCC(C)C | 256.42 | unknown | via CMAUP database |
4-Methylpentyl isovalerate | 71587815 | Click to see CC(C)CCCOC(=O)CC(C)C | 186.29 | unknown | via CMAUP database |
4-Methylpentyl pentanoate | 559141 | Click to see CCCCC(=O)OCCCC(C)C | 186.29 | unknown | via CMAUP database |
5-Methylhexyl 2-methylbutanoate | 18757719 | Click to see CCC(C)C(=O)OCCCCC(C)C | 200.32 | unknown | via CMAUP database |
Butanoic acid, 4-methylpentyl ester | 551462 | Click to see CCCC(=O)OCCCC(C)C | 172.26 | unknown | via CMAUP database |
cis-3-Hexenyl 2-methylbutanoate | 5365069 | Click to see CCC=CCCOC(=O)C(C)CC | 184.27 | unknown | via CMAUP database |
cis-3-Hexenyl hexanoate | 5352543 | Click to see CCCCCC(=O)OCCC=CCC | 198.30 | unknown | via CMAUP database |
cis-3-Hexenyl isovalerate | 5367681 | Click to see CCC=CCCOC(=O)CC(C)C | 184.27 | unknown | via CMAUP database |
cis-3-Hexenyl pentanoate | 5367682 | Click to see CCCCC(=O)OCCC=CCC | 184.27 | unknown | via CMAUP database |
Ethyl 2-([(3,4-dichloroanilino)carbonyl]amino)-4-methyl-1,3-thiazole-5-carboxylate | 530286 | Click to see CCCCCCOC(=O)CCC(C)C | 200.32 | unknown | via CMAUP database |
Ethyl 2-methylbutyrate | 24020 | Click to see CCC(C)C(=O)OCC | 130.18 | unknown | via CMAUP database |
Ethyl 4-methylpentanoate | 117477 | Click to see CCOC(=O)CCC(C)C | 144.21 | unknown | via CMAUP database |
Ethyl octanoate | 7799 | Click to see CCCCCCCC(=O)OCC | 172.26 | unknown | via CMAUP database |
Heptyl 2-methylbutyrate | 546235 | Click to see CCCCCCCOC(=O)C(C)CC | 200.32 | unknown | via CMAUP database |
Heptyl isovalerate | 91850 | Click to see CCCCCCCOC(=O)CC(C)C | 200.32 | unknown | via CMAUP database |
Hex-3-enyl hexanoate | 5352975 | Click to see CCCCCC(=O)OCCC=CCC | 198.30 | unknown | via CMAUP database |
Hexanoic acid, 4-methylpentyl ester | 567342 | Click to see CCCCCC(=O)OCCCC(C)C | 200.32 | unknown | via CMAUP database |
Hexyl 2-methylbutanoate | 24838 | Click to see CCCCCCOC(=O)C(C)CC | 186.29 | unknown | via CMAUP database |
Hexyl butyrate | 17525 | Click to see CCCCCCOC(=O)CCC | 172.26 | unknown | via CMAUP database |
Hexyl hexanoate | 22873 | Click to see CCCCCCOC(=O)CCCCC | 200.32 | unknown | via CMAUP database |
Hexyl isononanoate | 57354351 | Click to see CCCCCCOC(=O)CCCCCC(C)C | 242.40 | unknown | via CMAUP database |
Hexyl isovalerate | 61455 | Click to see CCCCCCOC(=O)CC(C)C | 186.29 | unknown | via CMAUP database |
Hexyl valerate | 70694 | Click to see CCCCCCOC(=O)CCCC | 186.29 | unknown | via CMAUP database |
Isoamyl butyrate | 7795 | Click to see CCCC(=O)OCCC(C)C | 158.24 | unknown | via CMAUP database |
Isoamyl isovalerate | 12613 | Click to see CC(C)CCOC(=O)CC(C)C | 172.26 | unknown | via CMAUP database |
Isobutyl 8-methylnonanoate | 91692812 | Click to see CC(C)CCCCCCC(=O)OCC(C)C | 228.37 | unknown | via CMAUP database |
Isohexyl 2-methylbutyrate | 85790712 | Click to see CCC(C)C(=O)OCCCC(C)C | 186.29 | unknown | via CMAUP database |
Isopentyl 8-methylnon-6-enoate | 91695620 | Click to see CC(C)CCOC(=O)CCCCC=CC(C)C | 240.38 | unknown | via CMAUP database |
Isopropyl Myristate | 8042 | Click to see CCCCCCCCCCCCCC(=O)OC(C)C | 270.50 | unknown | via CMAUP database |
Pentyl 2-methylbutyrate | 107059 | Click to see CCCCCOC(=O)C(C)CC | 172.26 | unknown | via CMAUP database |
Pentyl 3-methylbutanoate | 95978 | Click to see CCCCCOC(=O)CC(C)C | 172.26 | unknown | via CMAUP database |
Pentyl 4-methylpentanoate | 32967 | Click to see CCCCCOC(=O)CCC(C)C | 186.29 | unknown | via CMAUP database |
Pentyl butyrate | 10890 | Click to see CCCCCOC(=O)CCC | 158.24 | unknown | via CMAUP database |
Pentyl hexanoate | 10886 | Click to see CCCCCC(=O)OCCCCC | 186.29 | unknown | via CMAUP database |
Pentyl valerate | 62433 | Click to see CCCCCOC(=O)CCCC | 172.26 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Branched fatty acids / Methyl-branched fatty acids | |||||
2-Methylbutanoic acid | 8314 | Click to see CCC(C)C(=O)O | 102.13 | unknown |
https://doi.org/10.1006/JFCA.1997.0535 https://doi.org/10.1007/S002170050019 |
4-Methylpentanoic acid | 12587 | Click to see CC(C)CCC(=O)O | 116.16 | unknown | https://doi.org/10.1021/JF60227A034 |
Isovaleric acid | 10430 | Click to see CC(C)CC(=O)O | 102.13 | unknown |
https://doi.org/10.1021/JF60227A034 https://doi.org/10.1006/JFCA.1997.0535 https://doi.org/10.1007/S002170050019 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids | |||||
(Z)-9,10-dideuteriooctadec-9-enoic acid | 13011408 | Click to see CCCCCCCCC=CCCCCCCCC(=O)O | 284.50 | unknown | via CMAUP database |
9-Hexadecenoic acid | 5282745 | Click to see CCCCCCC=CCCCCCCCC(=O)O | 254.41 | unknown | via CMAUP database |
Arachidic Acid | 10467 | Click to see CCCCCCCCCCCCCCCCCCCC(=O)O | 312.50 | unknown | via CMAUP database |
Elaidic Acid | 637517 | Click to see CCCCCCCCC=CCCCCCCCC(=O)O | 282.50 | unknown | via CMAUP database |
Heptadecanoic acid | 10465 | Click to see CCCCCCCCCCCCCCCCC(=O)O | 270.50 | unknown | via CMAUP database |
Myristic Acid | 11005 | Click to see CCCCCCCCCCCCCC(=O)O | 228.37 | unknown | https://doi.org/10.1248/YAKUSHI1947.97.12_1372 |
Oleic Acid | 445639 | Click to see CCCCCCCCC=CCCCCCCCC(=O)O | 282.50 | unknown | via CMAUP database |
Palmitic Acid | 985 | Click to see CCCCCCCCCCCCCCCC(=O)O | 256.42 | unknown |
https://doi.org/10.1248/YAKUSHI1947.97.12_1372 https://doi.org/10.1021/JF60227A034 |
Palmitoleic Acid | 445638 | Click to see CCCCCCC=CCCCCCCCC(=O)O | 254.41 | unknown | via CMAUP database |
Pentadecanoic acid | 13849 | Click to see CCCCCCCCCCCCCCC(=O)O | 242.40 | unknown | via CMAUP database |
Stearic Acid | 5281 | Click to see CCCCCCCCCCCCCCCCCC(=O)O | 284.50 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids | |||||
Caproic Acid | 8892 | Click to see CCCCCC(=O)O | 116.16 | unknown | https://doi.org/10.1021/JF60227A034 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids | |||||
Valeric acid | 7991 | Click to see CCCCC(=O)O | 102.13 | unknown | https://doi.org/10.1021/JF60227A034 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids | |||||
Behenic Acid | 8215 | Click to see CCCCCCCCCCCCCCCCCCCCCC(=O)O | 340.60 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Fatty acyl glycosides of mono- and disaccharides | |||||
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-methylpentoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol | 10764898 | Click to see CC(C)CCCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O | 426.50 | unknown | https://doi.org/10.1021/JF0013454 |
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(3R)-oct-1-en-3-yl]oxy-6-[[(2R,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | 154496504 | Click to see CCCCCC(C=C)OC1C(C(C(C(O1)COC2C(C(C(CO2)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O | 584.60 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
(4S)-3,5,5-trimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one | 38346955 | Click to see CC1=CC(=O)CC(C1CCC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C | 372.50 | unknown | https://doi.org/10.1021/JF061404Z |
2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-methylpentoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol | 85260024 | Click to see CC(C)CCCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O | 426.50 | unknown | https://doi.org/10.1021/JF0013454 |
Blumenol C glucoside | 14135394 | Click to see CC1=CC(=O)CC(C1CCC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C | 372.50 | unknown | https://doi.org/10.1021/JF061404Z |
Byzantionoside B | 14135395 | Click to see CC1=CC(=O)CC(C1CCC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C | 372.50 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acyl glycosides / Sophorolipids | |||||
(2E,4R,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid | 124485209 | Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)O)O | 660.70 | unknown |
https://doi.org/10.1248/CPB.38.1299 https://doi.org/10.1021/JF061404Z |
(2E,6E,10E)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid | 56776259 | Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)O)O | 660.70 | unknown | https://doi.org/10.1248/CPB.38.1299 |
[(2R,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (2E,4S,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 162821215 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)C)O)O)O)O | 1727.90 | unknown | https://doi.org/10.1248/CPB.55.1151 |
[(2R,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (2E,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 163189967 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)OC(=O)C(=CCCC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)O)O)O)O | 1711.90 | unknown | https://doi.org/10.1248/CPB.55.1151 |
[(2R,3R,4R,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] (2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 162869105 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)OC(=O)C(=CCCC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)O)O)O)O | 1711.90 | unknown | https://doi.org/10.1248/CPB.55.1151 |
[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (2E,4S,6E,10E,14R)-14-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 163067407 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)C)O)O)O | 1727.90 | unknown | https://doi.org/10.1248/CPB.55.1151 |
[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (2E,4S,6Z,10E,14R)-14-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 163067406 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)C)O)O)O | 1727.90 | unknown | https://doi.org/10.1248/CPB.55.1151 |
[(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] (2E,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 23584600 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)O)OC(=O)C(=CCCC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)O)O)O | 1711.90 | unknown | https://doi.org/10.1248/CPB.55.1151 |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4R,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 163036111 | Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O)O | 822.90 | unknown | https://doi.org/10.1248/CPB.38.1299 |
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 163036110 | Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O)O | 822.90 | unknown | https://doi.org/10.1248/CPB.38.1299 |
2,6,10,15-Hexadecatetraenoic acid, 14-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-4-hydroxy-2,6,10,14-tetramethyl- | 72733434 | Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)O)O | 660.70 | unknown |
https://doi.org/10.1248/CPB.38.1299 https://doi.org/10.1021/JF061404Z |
Capsianoside D | 131751077 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)C)O | 1727.90 | unknown | https://doi.org/10.1248/CPB.38.1299 |
Capsianoside E | 118550821 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)OC(=O)C(=CCCC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)O)O | 1711.90 | unknown | https://doi.org/10.1248/CPB.38.1299 |
Capsianoside F | 131751078 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)O)OC(=O)C(=CCCC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)O | 1711.90 | unknown | https://doi.org/10.1248/CPB.38.1299 |
Capsianoside I | 14610541 | Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)O)O | 660.70 | unknown | via CMAUP database |
Capsianoside IV | 131751076 | Click to see CC(=CCCC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)C)CCC=C(C)C(=O)O | 644.70 | unknown | https://doi.org/10.1248/CPB.38.1299 |
Capsianoside L | 101417391 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)O)CO)C)O)C)O)O)O)O | 1581.80 | unknown | via CMAUP database |
Capsianside C | 118550826 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)OC(=O)C(=CC(CC(=CCCC(=CCCC(C)(C=C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)O)C)O)O | 1727.90 | unknown | https://doi.org/10.1248/CPB.38.1299 |
methyl (2E,4R,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 163083984 | Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)OC)O | 674.80 | unknown | https://doi.org/10.1021/JF061404Z |
Methyl 14-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoate | 163083983 | Click to see CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)CCC=C(C)CC(C=C(C)C(=O)OC)O | 674.80 | unknown | https://doi.org/10.1021/JF061404Z |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols | |||||
(3R)-oct-1-en-3-ol | 6992244 | Click to see CCCCCC(C=C)O | 128.21 | unknown | via CMAUP database |
(S)-1-Octen-3-ol | 2724898 | Click to see CCCCCC(C=C)O | 128.21 | unknown | via CMAUP database |
1-Hexanol | 8103 | Click to see CCCCCCO | 102.17 | unknown | via CMAUP database |
1-Octen-3-OL | 18827 | Click to see CCCCCC(C=C)O | 128.21 | unknown | via CMAUP database |
3-Hexen-1-ol | 10993 | Click to see CCC=CCCO | 100.16 | unknown | via CMAUP database |
7-Methyl-2-octanol | 6427125 | Click to see CC(C)CCCCC(C)O | 144.25 | unknown | via CMAUP database |
8-Methylnonan-2-ol | 17975363 | Click to see CC(C)CCCCCC(C)O | 158.28 | unknown | via CMAUP database |
9-Octadecanol | 13017695 | Click to see CCCCCCCCCC(CCCCCCCC)O | 270.50 | unknown | https://doi.org/10.1016/J.JPBA.2007.07.025 |
cis-3-Hexen-1-ol | 5281167 | Click to see CCC=CCCO | 100.16 | unknown | via CMAUP database |
trans-3-Hexen-1-ol | 5284503 | Click to see CCC=CCCO | 100.16 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Annonaceous acetogenins | |||||
4-[14-(4-hydroxy-5-methyl-2-oxooxolan-3-yl)tetradecyl]-2-methyl-2H-furan-5-one | 73836779 | Click to see CC1C=C(C(=O)O1)CCCCCCCCCCCCCCC2C(C(OC2=O)C)O | 408.60 | unknown | https://doi.org/10.1021/JF0013149 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols | |||||
Stearyl Alcohol | 8221 | Click to see CCCCCCCCCCCCCCCCCCO | 270.50 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes | |||||
Pentadecanal | 17697 | Click to see CCCCCCCCCCCCCCC=O | 226.40 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives | |||||
(10E)-9-oxooctadeca-10,12-dienoic acid | 132892553 | Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)O | 294.40 | unknown | https://doi.org/10.1271/BBB.63.489 |
9-Oxo-10,12-octadecadienoic acid | 5283011 | Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)O | 294.40 | unknown | https://doi.org/10.1271/BBB.63.489 |
9-Oxooctadeca-10,12-dienoic acid | 193923 | Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)O | 294.40 | unknown | https://doi.org/10.1271/BBB.63.489 |
9-OxoODE | 9839084 | Click to see CCCCCC=CC=CC(=O)CCCCCCCC(=O)O | 294.40 | unknown | https://doi.org/10.1271/BBB.63.489 |
9,10,11-Trihydroxyoctadeca-12,15-dienoic acid | 73229366 | Click to see CCC=CCC=CC(C(C(CCCCCCCC(=O)O)O)O)O | 328.40 | unknown | https://doi.org/10.1021/JF061404Z |
9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid | 16061055 | Click to see CCC=CCC=CC(C(C(CCCCCCCC(=O)O)O)O)O | 328.40 | unknown | https://doi.org/10.1021/JF061404Z |
Avenoleic acid | 45934094 | Click to see CCCC(CC=CCC=CCCCCCCCC(=O)O)O | 296.40 | unknown | via CMAUP database |
Linoleic Acid | 5280450 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)O | 280.40 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / 3-O-beta-D-digalactosyl-sn-glycerols | |||||
1-18:3-2-18:3-Digalactosyldiacylglycerol | 57400365 | Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC | 937.20 | unknown | https://doi.org/10.1021/JF001192K |
Capsoside A | 10508871 | Click to see CCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CC=CCC | 694.80 | unknown | https://doi.org/10.1021/JF0013454 |
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosyldiacylglycerols | |||||
[(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate | 162937855 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 777.10 | unknown | https://doi.org/10.1021/JF001192K |
[(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate | 162855535 | Click to see CCCCCCCCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 779.10 | unknown | https://doi.org/10.1021/JF001192K |
[(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate | 162909527 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 939.20 | unknown | https://doi.org/10.1021/JF001192K |
[(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (Z)-octadec-9-enoate | 163190745 | Click to see CCCCCCCCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 941.20 | unknown | https://doi.org/10.1021/JF001192K |
[(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadecanoate | 162975629 | Click to see CCCCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 943.20 | unknown | https://doi.org/10.1021/JF001192K |
[(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadecanoate | 163022960 | Click to see CCCCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCCCCC | 945.30 | unknown | https://doi.org/10.1021/JF001192K |
[(2R)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate | 162867717 | Click to see CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 753.10 | unknown | https://doi.org/10.1021/JF001192K |
[(2R)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate | 162975515 | Click to see CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCCCCC | 755.10 | unknown | https://doi.org/10.1021/JF001192K |
[(2R)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate | 162845408 | Click to see CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 915.20 | unknown | https://doi.org/10.1021/JF001192K |
[(2R)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate | 162969590 | Click to see CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCCCCC | 917.20 | unknown | https://doi.org/10.1021/JF001192K |
[1-Octadeca-9,12-dienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadecanoate | 132997508 | Click to see CCCCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCCCCC | 945.30 | unknown | https://doi.org/10.1021/JF001192K |
[1-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadec-9-enoate | 75300863 | Click to see CCCCCCCCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 779.10 | unknown | https://doi.org/10.1021/JF001192K |
[1-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadeca-9,12-dienoate | 75300893 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 777.10 | unknown | https://doi.org/10.1021/JF001192K |
[1-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadecanoate | 133019074 | Click to see CCCCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 781.10 | unknown | https://doi.org/10.1021/JF001192K |
[1-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadec-9-enoate | 77911623 | Click to see CCCCCCCCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 941.20 | unknown | https://doi.org/10.1021/JF001192K |
[1-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadeca-9,12-dienoate | 25203629 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 939.20 | unknown | https://doi.org/10.1021/JF001192K |
[1-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadecanoate | 132997676 | Click to see CCCCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 943.20 | unknown | https://doi.org/10.1021/JF001192K |
[2-Hex-3-enoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] dodecanoate | 85165479 | Click to see CCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CC=CCC | 694.80 | unknown | https://doi.org/10.1021/JF0013454 |
[2-Hexadecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12-dienoate | 25202863 | Click to see CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCCCCC | 755.10 | unknown | https://doi.org/10.1021/JF001192K |
[2-Hexadecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate | 25203387 | Click to see CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 753.10 | unknown | https://doi.org/10.1021/JF001192K |
[2-Hexadecanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12-dienoate | 25202271 | Click to see CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCCCCC | 917.20 | unknown | https://doi.org/10.1021/JF001192K |
[2-Hexadecanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate | 25202786 | Click to see CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 915.20 | unknown | https://doi.org/10.1021/JF001192K |
[2-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate | 73805565 | Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC | 775.10 | unknown | https://doi.org/10.1021/JF001192K |
[2-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate | 25200977 | Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC | 937.20 | unknown | https://doi.org/10.1021/JF001192K |
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosyldiacylglycerols / 1,2-diacyl-3-O-beta-D-galactosyl-sn-glycerols | |||||
[(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadecanoate | 162964936 | Click to see CCCCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCC=CCC=CCC=CCC | 781.10 | unknown | https://doi.org/10.1021/JF001192K |
1,2-Di-O-alpha-linolenoyl-3-O-beta-galactopyranosyl-sn-glycerol | 21582567 | Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC | 775.10 | unknown | https://doi.org/10.1021/JF001192K |
> Lipids and lipid-like molecules / Glycerolipids / Glycosylglycerols / Glycosylmonoacylglycerols | |||||
(9Z,12Z,15Z)-(S)-2-Hydroxy-3-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propyl octadeca-9,12,15-trienoate | 67458951 | Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)O | 514.60 | unknown | https://doi.org/10.1021/JF061404Z |
[2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate | 72984398 | Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)O | 514.60 | unknown | https://doi.org/10.1021/JF061404Z |
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphocholines / Phosphatidylcholines | |||||
Lecithin | 5287971 | Click to see CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC | 758.10 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Glycerophospholipids / Glycerophosphoglycerols / Phosphatidylglycerols | |||||
Phosphatidyl glycerol | 44566653 | Click to see CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCCCCC | 747.00 | unknown | https://doi.org/10.1016/S0031-9422(00)81275-3 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids | |||||
(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal | 101716226 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=O)C)C | 326.50 | unknown | https://doi.org/10.1021/JF0013149 |
(2E,4E,6Z,8E,10E,12E)-13-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal | 162911347 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=O)C)C | 366.50 | unknown | https://doi.org/10.1021/JF0013149 |
(2E,4Z,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal | 162881117 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=O)C)C | 326.50 | unknown | https://doi.org/10.1021/JF0013149 |
(3R)-3-hydroxy-12'-apo-beta-carotenal | 11100652 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=O)C)C | 366.50 | unknown | https://doi.org/10.1021/JF0013149 |
11-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-5,9-dimethylundeca-2,4,6,8,10-pentaenal | 145089401 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=O)C)C | 326.50 | unknown | https://doi.org/10.1021/JF0013149 |
12'-Apocapsorbinal | 10215903 | Click to see CC(=CC=CC=C(C)C=O)C=CC=C(C)C=CC(=O)C1(CC(CC1(C)C)O)C | 382.50 | unknown | https://doi.org/10.1021/JF0013149 |
13-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal | 72745545 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=O)C)C | 366.50 | unknown | https://doi.org/10.1021/JF0013149 |
3-Methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-4,10-diol | 14827259 | Click to see CC(C)C1=C(C(=C2C(=C1)C(CC3C2(CCCC3(C)C)C)O)O)OC | 332.50 | unknown | https://doi.org/10.1021/JF0013149 |
Pimarol | 12314285 | Click to see CC1(CCC2C(=C1)CCC3C2(CCCC3(C)CO)C)C=C | 288.50 | unknown | https://doi.org/10.1248/CPB.38.1299 |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids | |||||
(E,Z)-2,6-Dimethylocta-2,4,6-triene | 5371125 | Click to see CC=C(C)C=CC=C(C)C | 136.23 | unknown | via CMAUP database |
2,6-Dimethyl-2,4,6-octatriene | 5368821 | Click to see CC=C(C)C=CC=C(C)C | 136.23 | unknown | via CMAUP database |
beta-OCIMENE, (3E)- | 5281553 | Click to see CC(=CCC=C(C)C=C)C | 136.23 | unknown | via CMAUP database |
beta-Ocimene, (3Z)- | 5320250 | Click to see CC(=CCC=C(C)C=C)C | 136.23 | unknown | via CMAUP database |
Geranylacetone | 1549778 | Click to see CC(=CCCC(=CCCC(=O)C)C)C | 194.31 | unknown | via CMAUP database |
Linalool, (-)- | 443158 | Click to see CC(=CCCC(C)(C=C)O)C | 154.25 | unknown | via CMAUP database |
Linalool, (+)- | 67179 | Click to see CC(=CCCC(C)(C=C)O)C | 154.25 | unknown | via CMAUP database |
Linalool, (+/-)- | 6549 | Click to see CC(=CCCC(C)(C=C)O)C | 154.25 | unknown | via CMAUP database |
Myrcene | 31253 | Click to see CC(=CCCC(=C)C=C)C | 136.23 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids | |||||
Dendrolasin | 5316534 | Click to see CC(=CCCC(=CCCC1=COC=C1)C)C | 218.33 | unknown | via CMAUP database |
p-CYMENE | 7463 | Click to see CC1=CC=C(C=C1)C(C)C | 134.22 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids | |||||
(-)-Camphene | 440966 | Click to see CC1(C2CCC(C2)C1=C)C | 136.23 | unknown | via CMAUP database |
(-)-Myrtenal | 1201529 | Click to see CC1(C2CC=C(C1C2)C=O)C | 150.22 | unknown | via CMAUP database |
(+)-alpha-Pinene | 82227 | Click to see CC1=CCC2CC1C2(C)C | 136.23 | unknown | via CMAUP database |
(+)-Camphene | 92221 | Click to see CC1(C2CCC(C2)C1=C)C | 136.23 | unknown | via CMAUP database |
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene | 12223113 | Click to see CC1=CCC2CC1C2(C)C | 136.23 | unknown | via CMAUP database |
alpha-Bergamotene | 86608 | Click to see CC1=CCC2CC1C2(C)CCC=C(C)C | 204.35 | unknown | via CMAUP database |
alpha-PINENE | 6654 | Click to see CC1=CCC2CC1C2(C)C | 136.23 | unknown | via CMAUP database |
beta-Longipinene | 25203064 | Click to see CC1(CCCC2(C3C1C2C(=C)CC3)C)C | 204.35 | unknown | via CMAUP database |
beta-Pinene | 14896 | Click to see CC1(C2CCC(=C)C1C2)C | 136.23 | unknown | via CMAUP database |
Camphene | 6616 | Click to see CC1(C2CCC(C2)C1=C)C | 136.23 | unknown | via CMAUP database |
Myrtenal | 61130 | Click to see CC1(C2CC=C(C1C2)C=O)C | 150.22 | unknown | via CMAUP database |
trans-alpha-Bergaptene | 6428986 | Click to see CC1=CCC2CC1C2(C)CCC=C(C)C | 204.35 | unknown | via CMAUP database |
Tricyclene | 79035 | Click to see CC1(C2CC3C1(C3C2)C)C | 136.23 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids | |||||
(-)-alpha-Terpineol | 443162 | Click to see CC1=CCC(CC1)C(C)(C)O | 154.25 | unknown | via CMAUP database |
(+) Menthol | 12285346 | Click to see CC1CCC(C(C1)O)C(C)C | 156.26 | unknown | via CMAUP database |
(+)-Menthol | 165675 | Click to see CC1CCC(C(C1)O)C(C)C | 156.26 | unknown | via CMAUP database |
(+)-Neomenthol | 439263 | Click to see CC1CCC(C(C1)O)C(C)C | 156.26 | unknown | via CMAUP database |
Alpha-Terpineol | 17100 | Click to see CC1=CCC(CC1)C(C)(C)O | 154.25 | unknown | via CMAUP database |
l-Menthol | 16666 | Click to see CC1CCC(C(C1)O)C(C)C | 156.26 | unknown | via CMAUP database |
l-Menthyl propionate | 221455 | Click to see CCC(=O)OC1CC(CCC1C(C)C)C | 212.33 | unknown | via CMAUP database |
Limonene, (-)- | 439250 | Click to see CC1=CCC(CC1)C(=C)C | 136.23 | unknown | via CMAUP database |
Limonene, (+)- | 440917 | Click to see CC1=CCC(CC1)C(=C)C | 136.23 | unknown | via CMAUP database |
Limonene, (+/-)- | 22311 | Click to see CC1=CCC(CC1)C(=C)C | 136.23 | unknown | via CMAUP database |
Menthol | 1254 | Click to see CC1CCC(C(C1)O)C(C)C | 156.26 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids | |||||
Iso-beta-elemene | 91748865 | Click to see CC(=C)C1CCCC(C1C(=C)C)(C)C=C | 204.35 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin E compounds / Tocopherols | |||||
(2R)-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol | 12359166 | Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C | 430.70 | unknown | https://doi.org/10.1300/J044V03N02_08 |
2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol | 86052 | Click to see CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O | 416.70 | unknown | via CMAUP database |
Alpha-Tocopherol | 14985 | Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C | 430.70 | unknown | https://doi.org/10.1002/PCA.2800060107 |
beta-Tocopherol | 6857447 | Click to see CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O | 416.70 | unknown | via CMAUP database |
Covi-ox | 6560141 | Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C | 430.70 | unknown | https://doi.org/10.1002/PCA.2800060107 |
DL-alpha-Tocopherol | 2116 | Click to see CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C | 430.70 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Retinoids | |||||
(3R)-all-trans-3-hydroxyretinal | 25229573 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=O)C)C | 300.40 | unknown | https://doi.org/10.1021/JF0013149 |
(3S)-all-trans-3-hydroxyretinal | 25229572 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=O)C)C | 300.40 | unknown | https://doi.org/10.1021/JF0013149 |
9-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal | 151436 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=O)C)C | 300.40 | unknown | https://doi.org/10.1021/JF0013149 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids | |||||
(-)-alpha-Cubebene | 86609 | Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C | 204.35 | unknown | via CMAUP database |
(-)-Selina-4,11-diene | 6427714 | Click to see CCC1(CCCC(=C1CC(C)C(=C)C)C)C | 220.39 | unknown | via CMAUP database |
(+)-alpha-Longipinene | 520957 | Click to see CC1=CCC2C3C1C2(CCCC3(C)C)C | 204.35 | unknown | via CMAUP database |
(+)-Cyclosativene | 519960 | Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)C | 204.35 | unknown | via CMAUP database |
(+)-Longicyclene | 16217633 | Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C | 204.35 | unknown | via CMAUP database |
(+)-Nerolidol | 5356544 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
(+)-Sativene | 11275742 | Click to see CC(C)C1CCC2(C3C1C(C2=C)CC3)C | 204.35 | unknown | via CMAUP database |
(+)-Thujopsene | 11401461 | Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C | 204.35 | unknown | via CMAUP database |
(+)(-)-(E)-beta-caryophyllene | 14757966 | Click to see CC1(CC2C1CCC(=C)CCCC2=C)C | 204.35 | unknown | via CMAUP database |
(1R,4R,4aR,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalene-1,4-diol | 162920137 | Click to see CC12CCC(CC1C(C=CC2O)(C)O)C(C)(C)O | 254.36 | unknown | https://doi.org/10.1021/NP0305472 |
(1S,2S,3R,4S,6R,7R,8S)-1,2-Dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane | 16212927 | Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)C | 204.35 | unknown | via CMAUP database |
(1S,4R,4aS,6S,8aS)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalene-1,4-diol | 162920136 | Click to see CC12CCC(CC1C(C=CC2O)(C)O)C(C)(C)O | 254.36 | unknown | https://doi.org/10.1021/NP0305472 |
(1S,4R)-1-Isopropyl-4,7-dimethyl-1,2,3,4,5,6-hexahydronaphthalene | 15694803 | Click to see CC1CCC(C2=C1CCC(=C2)C)C(C)C | 204.35 | unknown | via CMAUP database |
(3E,5Z,7E)-8-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6-methylocta-3,5,7-trien-2-one | 154496175 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=O)C)C | 274.40 | unknown | https://doi.org/10.1021/JF0013149 |
(3R,6E)-nerolidol | 11241545 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
(3R,6R)-6-methyl-7-methylidene-3-propan-2-yltricyclo[4.4.0.02,8]decane | 25203247 | Click to see CC(C)C1CCC2(C3C1C(C2=C)CC3)C | 204.35 | unknown | via CMAUP database |
(3R)-hydroxy-beta-ionone | 11127505 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=O)C | 208.30 | unknown | https://doi.org/10.1021/JF0013149 |
(3S,5R,6R,8S,10S)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol | 11195778 | Click to see CC1CC(CC(C12CCC(C2)C(=C)C)CO)O | 238.37 | unknown | https://doi.org/10.1021/NP0305472 |
(3S,6E)-Nerolidol | 5281525 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
(3S,6S)-6-methyl-7-methylidene-3-propan-2-yltricyclo[4.4.0.02,8]decane | 71448981 | Click to see CC(C)C1CCC2(C3C1C(C2=C)CC3)C | 204.35 | unknown | via CMAUP database |
(4S,4aR,6S,8aS)-4,4a-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-1-one | 163006661 | Click to see CC12CCC(CC1(C(C=CC2=O)(C)O)O)C(C)(C)O | 268.35 | unknown | https://doi.org/10.1021/NP0305472 |
(9S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane | 75530194 | Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C | 204.35 | unknown | via CMAUP database |
(E)-(+-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one | 24680 | Click to see CC1=CCCC(C1C=CC(=O)C)(C)C | 192.30 | unknown | via CMAUP database |
(E)-beta-farnesene | 10407 | Click to see CC(=CCCC(=CCCC(=C)C=C)C)C | 204.35 | unknown | via CMAUP database |
(E)-Thujopsene | 91749973 | Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C | 204.35 | unknown | via CMAUP database |
(Z)-caryophyllene | 6429301 | Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C | 204.35 | unknown | via CMAUP database |
1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene | 403919 | Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C | 204.35 | unknown | via CMAUP database |
1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, (1S-(1alpha,2alpha,3abeta,4alpha,8abeta,9R*))- | 71311545 | Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C | 204.35 | unknown | via CMAUP database |
1,3,3-trimethyl-2-[(1E,3E,7E,15E,18E)-3,7,12,16-tetramethyl-18-(2,2,6-trimethylcyclohexylidene)octadeca-1,3,7,15-tetraen-5,9,13-triynyl]cyclohexene | 51035411 | Click to see CC1CCCC(C1=CCC(=CC#CC(C)CC#CC=C(C)C#CC=C(C)C=CC2=C(CCCC2(C)C)C)C)(C)C | 534.90 | unknown | via CMAUP database |
1,4-Methanoindan, hexahydro-7-isopropyl-4-methyl-8-methylene- | 530427 | Click to see CC(C)C1CCC2(C3C1C(C2=C)CC3)C | 204.35 | unknown | via CMAUP database |
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6Z)- | 12227246 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
10-(Hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]dec-9-en-8-one | 72956706 | Click to see CC1CC(=O)C=C(C12CCC(C2)C(=C)CO)CO | 250.33 | unknown | https://doi.org/10.1021/NP0305472 |
10-(Hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-8-ol | 14258980 | Click to see CC1CC(CC(C12CCC(C2)C(=C)C)CO)O | 238.37 | unknown | https://doi.org/10.1021/NP0305472 |
3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- | 538953 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=O)C | 208.30 | unknown | https://doi.org/10.1021/JF0013149 |
3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3alpha,3aalpha,8aalpha)]- | 6432448 | Click to see CC1=CCC2(CCC(C2(CC1)O)C(C)C)C | 222.37 | unknown | via CMAUP database |
3aalpha(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3alpha-isopropyl-6,8aalpha-dimethyl-, (+)- | 287687 | Click to see CC1=CCC2(CCC(C2(CC1)O)C(C)C)C | 222.37 | unknown | via CMAUP database |
4,4a-Dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-1-one | 72780611 | Click to see CC12CCC(CC1(C(C=CC2=O)(C)O)O)C(C)(C)O | 268.35 | unknown | https://doi.org/10.1021/NP0305472 |
5-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal | 85369578 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=O)C | 234.33 | unknown | https://doi.org/10.1021/JF0013149 |
6-(2-Hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalene-1,4-diol | 72978795 | Click to see CC12CCC(CC1C(C=CC2O)(C)O)C(C)(C)O | 254.36 | unknown | https://doi.org/10.1021/NP0305472 |
8-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-6-methylocta-3,5,7-trien-2-one | 75034374 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=O)C)C | 274.40 | unknown | https://doi.org/10.1021/JF0013149 |
alpha-Curcumene | 92139 | Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C | 202.33 | unknown | via CMAUP database |
Apo-11-zeaxanthinal | 101148957 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=O)C | 234.33 | unknown | https://doi.org/10.1021/JF0013149 |
Apo-13-zeaxanthinone | 44482347 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=O)C)C | 274.40 | unknown | https://doi.org/10.1021/JF0013149 |
beta-Bisabolene | 10104370 | Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C | 204.35 | unknown | via CMAUP database |
beta-Farnesene | 5281517 | Click to see CC(=CCCC(=CCCC(=C)C=C)C)C | 204.35 | unknown | via CMAUP database |
beta-Farnesene, (6Z)- | 5317319 | Click to see CC(=CCCC(=CCCC(=C)C=C)C)C | 204.35 | unknown | via CMAUP database |
beta-Ionone | 638014 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C | 192.30 | unknown | https://doi.org/10.1007/S002170050019 |
beta-Ylangene | 519779 | Click to see CC(C)C1CCC2(C3C1C2C(=C)CC3)C | 204.35 | unknown | via CMAUP database |
Canusesnol B | 11277186 | Click to see CC12CCC(CC1(C(C=CC2=O)(C)O)O)C(C)(C)O | 268.35 | unknown | https://doi.org/10.1021/NP0305472 |
Canusesnol D | 11482218 | Click to see CC12CCC(CC1C(C=CC2O)(C)O)C(C)(C)O | 254.36 | unknown | https://doi.org/10.1021/NP0305472 |
Canusesnol J | 11425225 | Click to see CC1CC(=O)C=C(C12CCC(C2)C(=C)CO)CO | 250.33 | unknown | https://doi.org/10.1021/NP0305472 |
Carotol | 442347 | Click to see CC1=CCC2(CCC(C2(CC1)O)C(C)C)C | 222.37 | unknown | via CMAUP database |
Caryophyllene | 5281515 | Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C | 204.35 | unknown | via CMAUP database |
Caryophyllene,alpha + beta mixt. | 5354499 | Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C | 204.35 | unknown | via CMAUP database |
cis-beta-Copaene | 87529 | Click to see CC(C)C1CCC2(C3C1C2C(=C)CC3)C | 204.35 | unknown | via CMAUP database |
cis-Nerolidol | 5320128 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
Copaene | 19725 | Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C | 204.35 | unknown | via CMAUP database |
Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-(-)- | 6432451 | Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C | 204.35 | unknown | via CMAUP database |
delta-Cadinene | 12306054 | Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C | 204.35 | unknown | via CMAUP database |
Longicyclene | 564934 | Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C | 204.35 | unknown | via CMAUP database |
Lubiminol | 10376937 | Click to see CC1CC(CC(C12CCC(C2)C(=C)C)CO)O | 238.37 | unknown | https://doi.org/10.1021/NP0305472 |
methyl (3S)-3-[(3S,3aS,5aR,6S,7S,9R,9aR)-3-[(3S,5R,6S)-5,6-dihydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-9-hydroxy-3a,6,9a-trimethyl-7-prop-1-en-2-yl-2,3,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalen-6-yl]-3-acetyloxypropanoate | 71531902 | Click to see CC(=C)C1CC(C2(C(C1(C)C(CC(=O)OC)OC(=O)C)CCC3(C2=CCC3C4CC(C(OC4)(C(C)(C)O)O)O)C)C)O | 592.80 | unknown | https://doi.org/10.1016/S0040-4039(00)02268-1 |
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1alpha,4aalpha,8aalpha)- | 6432308 | Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C | 204.35 | unknown | via CMAUP database |
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- | 12306059 | Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C | 204.35 | unknown | via CMAUP database |
Nerolidol | 8888 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
Sativene | 11830550 | Click to see CC(C)C1CCC2(C3C1C(C2=C)CC3)C | 204.35 | unknown | via CMAUP database |
Thujopsen | 97829 | Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C | 204.35 | unknown | via CMAUP database |
Thujopsene | 442402 | Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C | 204.35 | unknown | via CMAUP database |
trans-Nerolidol | 5284507 | Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C | 222.37 | unknown | via CMAUP database |
Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer | 6432119 | Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C | 204.35 | unknown | via CMAUP database |
Valerenol | 91699505 | Click to see CC1CCC(C2=C(CCC12)C)C=C(C)CO | 220.35 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids | |||||
alpha-Cedrene | 6431015 | Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C | 204.35 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids | |||||
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)- | 9859094 | Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C | 204.35 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids | |||||
(+)-5-Epi-aristolochene | 5460659 | Click to see CC1CCCC2=CCC(CC12C)C(=C)C | 204.35 | unknown | via CMAUP database |
(2R)-2-[(2R,7R,8S,8aR)-7-hydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol | 162893338 | Click to see CC1C(CCC2=CCC(CC12C)C(C)(CO)O)O | 254.36 | unknown | https://doi.org/10.1021/NP0305472 |
(3R,4S,4aR,6R,8aR)-3-hydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one | 162897254 | Click to see CC1C(CC(=O)C2C1(CC(CC2)C(=C)C)C)O | 236.35 | unknown | https://doi.org/10.1016/S0031-9422(00)81814-2 |
1-(5,7-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)ethanone | 72760861 | Click to see CC1C(CC(C2=CCC(CC12C)C(=O)C)O)O | 238.32 | unknown | https://doi.org/10.1021/NP0305472 |
1,2,3,4,4a,5,6,7-Octahydro-6alpha-[1-(hydroxymethyl)vinyl]-4beta,4aalpha-dimethylnaphthalene-1alpha,3beta-diol | 22215701 | Click to see CC1C(CC(C2=CCC(CC12C)C(=C)CO)O)O | 252.35 | unknown | https://doi.org/10.1021/NP0305472 |
2-(7-hydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl)propane-1,2-diol | 72956747 | Click to see CC1C(CCC2=CCC(CC12C)C(C)(CO)O)O | 254.36 | unknown | https://doi.org/10.1021/NP0305472 |
2-[(2R,5S,7R,8S,8aR)-5,7-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid | 11334620 | Click to see CC1C(CC(C2=CCC(CC12C)C(=C)C(=O)O)O)O | 266.33 | unknown | https://doi.org/10.1021/NP0305472 |
4-epi-Eremophilene | 11160025 | Click to see CC1CCC=C2C1(CC(CC2)C(=C)C)C | 204.35 | unknown | via CMAUP database |
6-[1-(Hydroxymethyl)vinyl]-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-naphthalenediol | 571140 | Click to see CC1C(CC(C2=CCC(CC12C)C(=C)CO)O)O | 252.35 | unknown | https://doi.org/10.1021/NP0305472 |
6-isopropenyl-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol | 494902 | Click to see CC1C(CC(C2=CCC(CC12C)C(=C)C)O)O | 236.35 | unknown |
https://doi.org/10.1021/NP0305472 https://doi.org/10.1016/S0031-9422(00)81814-2 https://doi.org/10.1021/JF061404Z |
Canusesnol F | 72805829 | Click to see CC1C(CC(C2=CCC(CC12C)C(=C)C(=O)O)O)O | 266.33 | unknown | https://doi.org/10.1021/NP0305472 |
Canusesnol G | 11425333 | Click to see CC1C(CCC2=CCC(CC12C)C(C)(CO)O)O | 254.36 | unknown | via CMAUP database |
Canusesnol H | 11230153 | Click to see CC1C(CC(C2=CCC(CC12C)C(=O)C)O)O | 238.32 | unknown | https://doi.org/10.1021/NP0305472 |
Capsidiol | 161937 | Click to see CC1C(CC(C2=CCC(CC12C)C(=C)C)O)O | 236.35 | unknown |
https://doi.org/10.1271/BBB.58.305 https://doi.org/10.1021/JF061404Z https://doi.org/10.1021/JF00012A010 https://doi.org/10.1016/S0031-9422(00)81814-2 https://doi.org/10.1016/S0031-9422(00)89733-2 https://doi.org/10.1007/BF00232372 https://doi.org/10.1021/NP0305472 https://doi.org/10.1016/S0031-9422(00)81559-9 |
Dihydrocapsenone | 157010074 | Click to see CC1C(CC(=O)C2C1(CC(CC2)C(=C)C)C)O | 236.35 | unknown | https://doi.org/10.1016/S0031-9422(00)81814-2 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids | |||||
(1S,3R,4aS,6S,8aR)-8a-methyl-4-methylidene-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1,3,4a-triol | 163019928 | Click to see CC(=C)C1CCC2(C(CC(C(=C)C2(C1)O)O)O)C | 252.35 | unknown | https://doi.org/10.1021/NP0305472 |
(1S,4aS,6S,8aR)-1,4a-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one | 162870152 | Click to see CC1=CC(=O)C(C2(C1(CC(CC2)C(C)(C)O)O)C)O | 268.35 | unknown | https://doi.org/10.1021/NP0305472 |
(4aR,7R)-7-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6,8-dihydro-5H-naphthalen-2-one | 163036048 | Click to see CC1=C2CC(CCC2(C=CC1=O)C)(C(C)(C)O)O | 250.33 | unknown | https://doi.org/10.1021/NP0305472 |
1,4a-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one | 72824478 | Click to see CC1=CC(=O)C(C2(C1(CC(CC2)C(C)(C)O)O)C)O | 268.35 | unknown | https://doi.org/10.1021/NP0305472 |
7-epi-alpha-Selinene | 10123 | Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C | 204.35 | unknown | via CMAUP database |
7-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6,8-dihydro-5H-naphthalen-2-one | 85420280 | Click to see CC1=C2CC(CCC2(C=CC1=O)C)(C(C)(C)O)O | 250.33 | unknown | https://doi.org/10.1021/NP0305472 |
8a-methyl-4-methylidene-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1,3,4a-triol | 72815158 | Click to see CC(=C)C1CCC2(C(CC(C(=C)C2(C1)O)O)O)C | 252.35 | unknown | https://doi.org/10.1021/NP0305472 |
Canusesnol A | 11161037 | Click to see CC1=C2CC(CCC2(C=CC1=O)C)(C(C)(C)O)O | 250.33 | unknown | https://doi.org/10.1021/NP0305472 |
Canusesnol C | 11380163 | Click to see CC1=CC(=O)C(C2(C1(CC(CC2)C(C)(C)O)O)C)O | 268.35 | unknown | https://doi.org/10.1021/NP0305472 |
Canusesnol E | 11357208 | Click to see CC(=C)C1CCC2(C(CC(C(=C)C2(C1)O)O)O)C | 252.35 | unknown | https://doi.org/10.1021/NP0305472 |
naphthalene, 1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, (2R-cis)- | 90657506 | Click to see CC1=C2CC(CCC2(CCC1)C)C(=C)C | 204.35 | unknown | via CMAUP database |
Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2alpha,4aalpha,8abeta)]- | 6432455 | Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C | 204.35 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids | |||||
(+)-germacrene D | 24771782 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
(1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene | 74764030 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
(1Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene | 92003564 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
(6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene | 49796490 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene | 6436582 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- | 5373727 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
CID 46173863 | 46173863 | Click to see CC1=CCCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C | 246.30 | unknown | via CMAUP database |
Germacrene D | 5317570 | Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C | 204.35 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Himachalane and lippifoliane sesquiterpenoids | |||||
(+)-Himachala-2,4-diene | 12993379 | Click to see CC1CCCC(C2=CC(=CCC12)C)(C)C | 204.35 | unknown | via CMAUP database |
(1R,6S)-gamma-himachalene | 6428535 | Click to see CC1=CC2C(CC1)C(=CCCC2(C)C)C | 204.35 | unknown | via CMAUP database |
alpha-Himachalene | 520909 | Click to see CC1=CC2C(CC1)C(=C)CCCC2(C)C | 204.35 | unknown | via CMAUP database |
beta-Himachalene | 11586487 | Click to see CC1=CC2C(=C(CCCC2(C)C)C)CC1 | 204.35 | unknown | via CMAUP database |
gamma-Himachalene | 577062 | Click to see CC1=CC2C(CC1)C(=CCCC2(C)C)C | 204.35 | unknown | via CMAUP database |
Himachala-2,4-diene | 583791 | Click to see CC1CCCC(C2=CC(=CCC12)C)(C)C | 204.35 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesterterpenoids | |||||
10'-Apozeaxanthinal | 101716225 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=O)C)C | 392.60 | unknown | https://doi.org/10.1021/JF0013149 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides | |||||
methyl (2S,3R,4S)-4-[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyethyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate | 10929701 | Click to see COC(=O)C1=COC(C(C1CCOC(=O)C=CC2=CC(=C(C=C2)O)O)C=C)OC3C(C(C(C(O3)CO)O)O)O | 552.50 | unknown |
https://doi.org/10.1016/S0031-9422(00)89686-7 https://doi.org/10.1093/OXFORDJOURNALS.JBCHEM.A126089 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Diterpene glycosides | |||||
(1S,4E,8E,12Z)-14-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-->6)-O-beta-D-glucopyranosyl-(1-->3)-6-deoxy-alpha-L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | 73821007 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)O)O)O | 1085.20 | unknown |
https://doi.org/10.1248/CPB.38.1299 https://doi.org/10.1021/JF0116911 https://doi.org/10.1021/JF0013454 |
(2E,4R,6E,10Z,14S)-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid | 95224933 | Click to see CC(=CCCC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)CO)CC(C=C(C)C(=O)O)O | 514.60 | unknown |
https://doi.org/10.1248/CPB.38.1299 https://doi.org/10.1021/JF061404Z |
(2E,6E,10Z,14S)-4-hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid | 14610544 | Click to see CC(=CCCC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)CO)CC(C=C(C)C(=O)O)O | 514.60 | unknown | https://doi.org/10.1248/CPB.38.1299 |
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 162862128 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O | 1247.30 | unknown | https://doi.org/10.1248/CPB.54.1365 |
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 162853937 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O)O | 1085.20 | unknown | https://doi.org/10.1248/CPB.54.1365 |
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4R,5R,6R)-6-[(2Z,6E,10Z,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-2,6,14-trimethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 162958093 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)CO)C)C)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O)O | 1101.20 | unknown | https://doi.org/10.1248/CPB.54.1365 |
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-3,4-dihydroxy-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 163008924 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O | 1263.30 | unknown | https://doi.org/10.1248/CPB.54.1365 |
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2Z,6E,10E,14S)-14-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 163032045 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O | 1101.20 | unknown | https://doi.org/10.1248/CPB.54.1365 |
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-2-[(2Z,6E,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 11803274 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)O)C)C)C)C)O)O)O)O)O)O)O | 760.90 | unknown | https://doi.org/10.1021/JF0013454 |
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2Z,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 14610548 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(C(OC3OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)CO)O)O)O)O)O)O)O)O | 1101.20 | unknown |
https://doi.org/10.1248/CPB.38.1299 https://doi.org/10.1021/JF0013454 https://doi.org/10.1021/JF061404Z |
(2S,3S,4R,5R,6R)-2-[[(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[(2E,6E,10E,14S)-14-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 162869572 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)O)O)O | 1085.20 | unknown | https://doi.org/10.1248/CPB.55.1151 |
2-[[3,4-Dihydroxy-6-[14-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 163008923 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O | 1263.30 | unknown | https://doi.org/10.1248/CPB.54.1365 |
2-[[4,5-Dihydroxy-6-[10-(hydroxymethyl)-2,6,14-trimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 162998166 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)O)CO)C)C)O)O)OC4C(C(C(C(O4)C)O)O)O)O)O)O | 939.00 | unknown | https://doi.org/10.1021/JF061404Z |
2-[[4,5-Dihydroxy-6-[14-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 162862127 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O | 1247.30 | unknown | https://doi.org/10.1248/CPB.54.1365 |
2-[[6-[14-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-2,6,14-trimethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 162958092 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)CO)C)C)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O)O | 1101.20 | unknown | https://doi.org/10.1248/CPB.54.1365 |
2-[[6-[14-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 163032044 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O | 1101.20 | unknown | https://doi.org/10.1248/CPB.54.1365 |
2-[[6-[14-[3,4-Dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 162853936 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O)O | 1085.20 | unknown | https://doi.org/10.1248/CPB.54.1365 |
2-[[6-[14-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 73238041 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O)O | 1085.20 | unknown |
https://doi.org/10.1248/CPB.54.1365 https://doi.org/10.1021/JF061404Z |
2-[[6-[2-[14-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 72733437 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(C(OC3OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)CO)O)O)O)O)O)O)O)O | 1101.20 | unknown |
https://doi.org/10.1248/CPB.38.1299 https://doi.org/10.1021/JF0013454 https://doi.org/10.1021/JF061404Z |
2-[[6-[3,5-Dihydroxy-2-(14-hydroxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoxy)-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 73109136 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)O)C)C)C)C)O)O)O)O)O)O)O | 760.90 | unknown | https://doi.org/10.1021/JF0013454 |
2-[[6-[3,5-Dihydroxy-2-methyl-6-[2,6,10,14-tetramethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol | 162883007 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)C)O)O)O)O)O)O)O | 923.00 | unknown | https://doi.org/10.1248/CPB.39.3258 |
4-Hydroxy-10-(hydroxymethyl)-2,6,14-trimethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoic acid | 72733435 | Click to see CC(=CCCC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)CO)CC(C=C(C)C(=O)O)O | 514.60 | unknown |
https://doi.org/10.1248/CPB.38.1299 https://doi.org/10.1021/JF061404Z |
beta-D-Glucopyranoside, (1S,4E,8E,12Z)-14-[(O-6-deoxy-alpha-L-mannopyranosyl-(1-->6)-O-[beta-D-glucopyranosyl-(1-->2)]-beta-D-glucopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-beta-D-glucopyranosyl- | 23584256 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O | 1101.20 | unknown | https://doi.org/10.1248/CPB.55.1151 |
Capsianoside II | 21672514 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)O)O)O | 1085.20 | unknown |
https://doi.org/10.1248/CPB.38.1299 https://doi.org/10.1021/JF0116911 https://doi.org/10.1021/JF0013454 |
Capsianoside III | 131751201 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(C(OC3OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)CO)O)O)O)O)O)O)O)O | 1101.20 | unknown | https://doi.org/10.1248/CPB.38.1299 |
Capsianoside IX | 101406573 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)O)CO)C)C)O)O)OC4C(C(C(C(O4)C)O)O)O)O)O)O | 939.00 | unknown | https://doi.org/10.1021/JF061404Z |
Capsianoside VI | 101615775 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)C)O)O)O)O)O)O)O | 923.00 | unknown | https://doi.org/10.1248/CPB.39.3258 |
Capsianoside VIII | 16085808 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)C)C)C)O)O)OC5C(C(C(C(O5)C)O)O)O)O)O)O | 1085.20 | unknown |
https://doi.org/10.1248/CPB.54.1365 https://doi.org/10.1021/JF061404Z |
Capsianside II | 131751202 | Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OCC(=CCCC(=CCCC(=CCCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)C)O)O)O)O)O)O)O | 1085.20 | unknown |
https://doi.org/10.1248/CPB.38.1299 https://doi.org/10.1021/JF0116911 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene glycosides / Triterpene glycosides / Triterpene saponins | |||||
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | 101718871 | Click to see CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)(C)C)O)O)O)CO)O)O)O | 1367.50 | unknown |
https://doi.org/10.1002/HLCA.19960790516 https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1021/JF010338S https://doi.org/10.1002/CHIN.198644308 |
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-11-oxo-3,4,5,6,6a,7,8,8a,10,12,13,14b-dodecahydro-2H-picene-4a-carboxylate | 162853565 | Click to see CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(=O)C(C5(C)C)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O | 648.80 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1002/CHIN.198644308 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones | |||||
8a-hydroxy-4-methoxy-3,4a,5-trimethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one | 163088013 | Click to see CC1CCCC2(C1(C(C3=C(C(=O)OC3C2)C)OC)C)O | 280.36 | unknown | https://doi.org/10.1021/JF010338S |
Nepetalactone cis-trans-form | 161367 | Click to see CC1CCC2C1C(=O)OC=C2C | 166.22 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Xanthanolides | |||||
(3aR,4aS,5S,5aR,6aR)-4a,5a-dimethyl-3-methylidene-5-(3-oxobutyl)-4,5,6,6a-tetrahydro-3aH-cyclopropa[f][1]benzofuran-2-one | 53319263 | Click to see CC(=O)CCC1C2(C1(CC3C(C2)C(=C)C(=O)O3)C)C | 262.34 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids | |||||
(6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E)-15-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol | 134781708 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C3C=C4C(CC(CC4(O3)C)O)(C)C | 600.90 | unknown | https://doi.org/10.1021/JF950354N |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Carotenes | |||||
1,3,3-trimethyl-2-[(1Z,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene | 12305647 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C | 536.90 | unknown |
https://doi.org/10.1021/JF991020R https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF000958D |
6-[(1E,3Z,5E,7Z,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene | 9807220 | Click to see CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)(C)C | 536.90 | unknown | via CMAUP database |
all-trans-alpha-Carotene | 4369188 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C | 536.90 | unknown |
https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF950354N |
alpha-Carotene | 6419725 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C | 536.90 | unknown |
https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF950354N https://doi.org/10.1300/J044V03N02_08 |
Beta-Carotene | 5280489 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C | 536.90 | unknown |
https://doi.org/10.1021/JF00035A011 https://doi.org/10.1021/JF00024A012 https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF00041A026 https://doi.org/10.1300/J044V03N02_08 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC15522/ https://doi.org/10.1021/JF00073A012 https://doi.org/10.1016/S0003-2670(98)00379-1 https://doi.org/10.1111/J.1365-2621.1987.TB14278.X https://doi.org/10.1016/J.PHYTOCHEM.2011.03.016 https://doi.org/10.1021/JF010547C https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF991020R https://doi.org/10.1021/JF950354N |
epsilon-Carotene | 446439 | Click to see CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C)(C)C | 536.90 | unknown | https://doi.org/10.1021/JF00024A012 |
gamma-Carotene | 5280791 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C | 536.90 | unknown | via CMAUP database |
Phytoene | 5280784 | Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C | 544.90 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC15522/ https://doi.org/10.1021/JF00024A012 |
Phytofluene | 6436722 | Click to see CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C | 542.90 | unknown | https://doi.org/10.1021/JF00024A012 |
zeta-Carotene | 5280788 | Click to see CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C | 540.90 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Tetraterpenoids / Carotenoids / Xanthophylls | |||||
(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol | 15298694 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C | 600.90 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1002/HLCA.19910740416 |
(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,2R,4R)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol | 162965979 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C | 600.90 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | 6433159 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C | 568.90 | unknown | via CMAUP database |
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | 25245095 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C | 568.90 | unknown | https://doi.org/10.1021/JF00011A003 |
(1R)-4-[(1Z,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | 102008443 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C | 568.90 | unknown |
https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF991020R |
(1S,2R,4R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,2R,4R)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol | 163069498 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC34C(CC(O3)CC4(C)O)(C)C | 600.90 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
(1S,2R,4R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol | 162892081 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(O2)CC3(C)O)(C)C)C)C | 584.90 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
(1S,2S,4R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,2R,4R)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol | 162988947 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC3(C(CC(CC3(C)O)O)(C)C)O | 618.90 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
(1S,2S,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol | 102507350 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(CC(CC2(C)O)O)(C)C)O)C)C | 602.90 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1002/CHIN.198644308 |
(1S,3R,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol | 45109816 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C | 584.90 | unknown | via CMAUP database |
(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | 448437 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C | 568.90 | unknown | via CMAUP database |
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one | 102593858 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC(=O)C3(CC(CC3(C)C)O)C | 600.90 | unknown | https://doi.org/10.1002/HLCA.19980810534 |
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1S,2R,4R)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one | 162917524 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC(=O)C3(CC(CC3(C)C)O)C | 600.90 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one | 25243952 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C | 584.90 | unknown | via CMAUP database |
(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2R,6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyloctadeca-2,4,6,8,10,12,14,16-octaen-1-one | 11103991 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=CC(=O)C3(CC(CC3(C)C)O)C | 600.90 | unknown | https://doi.org/10.1002/HLCA.19980810534 |
(2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1S,2R,4R)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol | 162908624 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=CC34C(CC(O3)CC4(C)O)(C)C | 600.90 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
(2S,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1S,2R,4R)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol | 162908625 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=CC34C(CC(O3)CC4(C)O)(C)C | 600.90 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
(2S,6S,7aR)-2-[(2Z,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol | 101993680 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=CC34C(CC(O3)CC4(C)O)(C)C | 600.90 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
(2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one | 102008442 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C | 584.90 | unknown |
https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF991020R |
(3S,3'S,5R,5'R,6S,6'R,9Z,15Z)-5,6-Epoxy-6',7'-didehydro-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3',5'-triol | 10908146 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C | 600.90 | unknown | via CMAUP database |
(3S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol | 25244322 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C | 584.90 | unknown | https://doi.org/10.1021/JF00011A003 |
(3S)-beta-Cryptoxanthin | 44554791 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C | 552.90 | unknown | https://doi.org/10.1093/OXFORDJOURNALS.JBCHEM.A126089 |
[(1S,3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]-3,4,4-trimethylcyclopentyl] tetradecanoate | 10259719 | Click to see CCCCCCCCCCCCCC(=O)OC1CC(C(C1)(C)C(=O)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C)(C)C | 795.20 | unknown | https://doi.org/10.1248/CPB.43.1248 |
1-(4-Hydroxy-1,2,2-trimethylcyclopentyl)-19-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one | 73114088 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC(=O)C3(CC(CC3(C)C)O)C | 600.90 | unknown | https://doi.org/10.1021/JF000958D |
1-[18-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6,6-dimethyl-2-methylidenecyclohex-3-en-1-ol | 162864322 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(=C)C=CCC2(C)C)O)C)C | 566.90 | unknown |
https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF000958D |
1,5,5-trimethyl-6-[(1E,3Z,5Z,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol | 5316151 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C | 568.90 | unknown | via CMAUP database |
3,3'-Dihydroxy-beta,kappa-caroten-6'-one | 4481061 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C | 584.90 | unknown | https://doi.org/10.1017/S0007114509991309 |
3,4-Dehydroxy-3'-deoxycapsanthin | 23249552 | Click to see CC1=C(C(CC=C1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CCCC2(C)C)C)C)C | 550.90 | unknown | https://doi.org/10.1021/NP030400A |
3,6:3',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-5,5'-diol | 131752303 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC34C(CC(O3)CC4(C)O)(C)C | 600.90 | unknown |
https://doi.org/10.1002/HLCA.19960790516 https://doi.org/10.1021/JF950354N |
3,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5-diol | 131751705 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C | 600.90 | unknown |
https://doi.org/10.1002/HLCA.19960790516 https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF000958D |
3'-Deoxycapsanthin | 641586 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CCCC2(C)C)C)C)C | 568.90 | unknown | https://doi.org/10.1021/NP030400A |
4-[18-(4-Hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | 181579 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C | 568.90 | unknown | via CMAUP database |
5,6-Diepicapsokarpoxanthin | 102507352 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC1(C(CC(CC1(C)O)O)(C)C)O)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C | 618.90 | unknown | https://doi.org/10.1002/HLCA.19980810534 |
6-epi-Karpoxanthin | 23258402 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(CC(CC2(C)O)O)(C)C)O)C)C | 602.90 | unknown | https://doi.org/10.1002/HLCA.19980810534 |
6-Epikarpoxanthin | 131751644 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(CC(CC2(C)O)O)(C)C)O)C)C | 602.90 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1021/JF000958D |
all-trans-Neoxanthin | 5281247 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C | 600.90 | unknown | via CMAUP database |
Antheraxanthin | 5281223 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C | 584.90 | unknown |
https://doi.org/10.1021/JF000958D https://doi.org/10.1300/J044V03N02_08 https://doi.org/10.1021/JF991020R https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF950354N |
Beta, e-carotene-3, 3'-diol | 102514741 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C | 568.90 | unknown | via CMAUP database |
Capsanthin | 5281228 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C | 584.90 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1016/S0021-9673(96)00665-6 https://doi.org/10.1017/S0007114509991309 https://doi.org/10.1021/JF000958D https://doi.org/10.1016/S0003-2670(98)00379-1 https://doi.org/10.1021/JF00041A026 https://doi.org/10.1300/J044V03N02_08 https://doi.org/10.1021/JF991020R https://doi.org/10.1016/S0031-9422(00)89686-7 https://doi.org/10.1021/JF00035A011 https://doi.org/10.1111/J.1365-2621.1987.TB14278.X https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF00024A012 https://doi.org/10.1021/JF001192K https://doi.org/10.1021/JF00073A012 https://doi.org/10.1002/CHIN.198644308 https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF010547C |
Capsanthin 5,6-epoxide | 11039295 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC(=O)C3(CC(CC3(C)C)O)C | 600.90 | unknown | https://doi.org/10.1002/CHIN.198644308 |
Capsanthin dipalmitate | 71587212 | Click to see CCCCCCCCCCCCCCCC(=O)OC1CC(=C(C(C1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)C)C)C | 1061.70 | unknown | via CMAUP database |
Capsanthin-3,6-epoxide | 11734696 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC(=O)C3(CC(CC3(C)C)O)C | 600.90 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1021/JF010338S https://doi.org/10.1002/CHIN.198644308 |
Capsanthone | 21764964 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(=O)CC2(C)C)C)C)C | 582.90 | unknown |
https://doi.org/10.1021/JF010338S https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF000958D |
Capsanthone-3,6-epoxide | 134742525 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC(=O)C3(CC(=O)CC3(C)C)C | 598.90 | unknown | https://doi.org/10.1021/JF010338S |
Carpoxanthin | 131751643 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(CC(CC2(C)O)O)(C)C)O)C)C | 602.90 | unknown | https://doi.org/10.1021/JF950354N |
CID 16061211 | 16061211 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(O2)CC3(C)O)(C)C)C)C | 584.90 | unknown |
https://doi.org/10.1021/JF980401M https://doi.org/10.1021/JF00034A018 https://doi.org/10.1002/HLCA.19960790516 https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF991020R https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1021/JF000958D |
Cryptocapsin | 14515709 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C)C)C | 568.90 | unknown |
https://doi.org/10.1021/JF000958D https://doi.org/10.1016/S0031-9422(00)89686-7 |
Cryptoxanthin | 5281235 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C | 552.90 | unknown |
https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF00041A026 https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF010547C https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF00024A012 https://doi.org/10.1021/JF991020R https://doi.org/10.1300/J044V03N02_08 https://doi.org/10.1021/JF00023A019 https://doi.org/10.1021/JF00035A011 https://doi.org/10.1016/S0031-9422(00)89686-7 |
Cucurbitaxanthin A | 11433225 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(O2)CC3(C)O)(C)C)C)C | 584.90 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1002/CHIN.198644308 https://doi.org/10.1002/HLCA.19910740416 |
Cucurbitaxanthin B | 16061212 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C | 600.90 | unknown |
https://doi.org/10.1002/HLCA.19960790516 https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF000958D |
Cycloviolaxanthin | 15297484 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC34C(CC(O3)CC4(C)O)(C)C | 600.90 | unknown |
https://doi.org/10.1021/JF010338S https://doi.org/10.1002/HLCA.19910740416 |
Karpoxanthin | 23258401 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(CC(CC2(C)O)O)(C)C)O)C)C | 602.90 | unknown | https://doi.org/10.1021/NP030400A |
Latoxanthin | 102150983 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC3(C(CC(CC3(C)O)O)(C)C)O | 618.90 | unknown |
https://doi.org/10.1021/JF950354N https://doi.org/10.1016/J.TETLET.2007.10.091 |
Lutein | 5281243 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C | 568.90 | unknown |
https://doi.org/10.1021/JF000958D https://doi.org/10.1300/J044V03N02_08 https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF00035A011 https://doi.org/10.1021/JF00034A018 |
Lutein 5,6-epoxide | 5281244 | Click to see CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C)(C)C)O | 584.90 | unknown | via CMAUP database |
Luteine | 5368396 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C | 568.90 | unknown | https://doi.org/10.1021/JF00034A018 |
Physalien | 5281250 | Click to see CCCCCCCCCCCCCCCC(=O)OC1CC(=C(C(C1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)C)C)C | 1045.70 | unknown | via CMAUP database |
Prenigroxanthin | 102376152 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(=C)CC(CC2(C)C)O)O)C)C | 584.90 | unknown |
https://doi.org/10.1021/NP030400A https://doi.org/10.1016/S0040-4039(00)02268-1 |
Violaxanthin | 448438 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=CC34C(CC(CC3(O4)C)O)(C)C | 600.90 | unknown |
https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF010547C https://doi.org/10.1021/JF00011A003 https://doi.org/10.1300/J044V03N02_08 https://doi.org/10.1021/JF00041A026 https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF991020R https://doi.org/10.1021/JF00034A018 https://doi.org/10.1002/HLCA.19980810534 |
Zeaxanthin | 5280899 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C | 568.90 | unknown |
https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF010547C https://doi.org/10.1021/JF00011A003 https://doi.org/10.1300/J044V03N02_08 https://doi.org/10.1021/JF00041A026 https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF991020R https://doi.org/10.1021/JF00073A012 https://doi.org/10.1021/JF00024A012 https://doi.org/10.1021/JF00034A018 https://doi.org/10.1002/HLCA.19980810534 |
Zeaxanthin 3,6-epoxide (incorr.) | 131751704 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(O2)CC3(C)O)(C)C)C)C | 584.90 | unknown |
https://doi.org/10.1002/HLCA.19960790516 https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1021/JF991020R https://doi.org/10.1021/JF010547C https://doi.org/10.1021/JF980401M https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF950354N |
Zeaxanthin laurate myristate | 101997817 | Click to see CCCCCCCCCCCCCC(=O)OC1CC(=C(C(C1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)OC(=O)CCCCCCCCCCC)C)C)C)C | 961.50 | unknown | via CMAUP database |
Zeinoxanthin | 5281234 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C)C)C | 552.90 | unknown |
https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF950354N |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids | |||||
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione | 6384253 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C1(CC(CC1(C)C)O)C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C | 600.90 | unknown | via CMAUP database |
(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2S,6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,12-trimethyloctadeca-2,4,6,8,10,12,14,16-octaen-1-one | 162856557 | Click to see CC(=CC=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=CC=C(C)C=CC(=O)C3(CC(CC3(C)C)O)C | 600.90 | unknown | https://doi.org/10.1002/CHIN.198644308 |
24,25-Dihydrolanosterol | 440560 | Click to see CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C | 428.70 | unknown | https://doi.org/10.1016/0039-128X(77)90011-3 |
4-[3-hydroxy-2-oxo-3-(2,3,12,14-tetrahydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl]-3,5-dimethyloxolan-2-one | 162944383 | Click to see CC1C(C(OC1=O)C)CC(=O)C(C)(C2CCC3(C2(C(CC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)O)C)O)O | 534.60 | unknown | https://doi.org/10.1021/JF0013149 |
8'-Apocapsorbinal | 101716228 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=O)C=CC=C(C)C=CC(=O)C1(CC(CC1(C)C)O)C | 448.60 | unknown | https://doi.org/10.1021/JF0013149 |
Apocarotenal | 5478003 | Click to see CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C | 416.60 | unknown | https://doi.org/10.1111/J.1365-2621.1987.TB14278.X |
beta-Citraurin | 9845703 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C | 432.60 | unknown | https://doi.org/10.1021/JF0013149 |
Betulin | 72326 | Click to see CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO | 442.70 | unknown | via CMAUP database |
Capsochrome | 131752089 | Click to see CC(=CC=CC=C(C)C1C=C2C(CC(CC2(O1)C)O)(C)C)C=CC=C(C)C=CC=C(C)C=CC(=O)C3(CC(CC3(C)C)O)C | 600.90 | unknown | https://doi.org/10.1002/CHIN.198644308 |
Capsorubin | 5281229 | Click to see CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)C1(CC(CC1(C)C)O)C)C=CC=C(C)C=CC(=O)C2(CC(CC2(C)C)O)C | 600.90 | unknown |
https://doi.org/10.1021/JF00041A026 https://doi.org/10.1016/S0021-9673(96)00665-6 https://doi.org/10.1300/J044V03N02_08 https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1021/JF00073A012 https://doi.org/10.1002/CHIN.198644308 https://doi.org/10.1021/JF991020R https://doi.org/10.1021/JF010547C https://doi.org/10.1039/JR9610004019 https://doi.org/10.1021/JF00024A012 https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF00035A011 https://doi.org/10.1111/J.1365-2621.1987.TB14278.X https://doi.org/10.1021/JF950354N https://doi.org/10.1021/JF000958D |
Lanosta-8,24-dien-3-ol | 856 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C | 426.70 | unknown | https://doi.org/10.1016/0039-128X(77)90011-3 |
Lanosterol | 246983 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C | 426.70 | unknown | https://doi.org/10.1016/0039-128X(77)90011-3 |
Vwjsnopypvuarg-bpnnxiafsa- | 14355560 | Click to see CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(C5=C)O)C)O)C)C2C1(C)O)C)C(=O)OC | 486.70 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Saccharolipids | |||||
soldanelline B | 70698165 | Click to see CCCCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)C)OC(=O)C(=CC)C)O)OC(=O)C(C)C(C)O)OC5C(C(C(OC5O1)C)O)O)CO)O)CO)O)OC(=O)C(C)CC | 1137.30 | unknown | https://doi.org/10.1016/0039-128X(77)90011-3 |
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids | |||||
(2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxydocosanamide | 162925309 | Click to see CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 816.20 | unknown | https://doi.org/10.1021/JF001192K |
(2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide | 10723650 | Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 732.00 | unknown | https://doi.org/10.1021/JF001192K |
(2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxypentacosanamide | 60163118 | Click to see CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 858.30 | unknown | https://doi.org/10.1021/JF001192K |
(2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxytricosanamide | 162932543 | Click to see CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 830.20 | unknown | https://doi.org/10.1021/JF001192K |
1-O-beta-GLUCOPYRANOSYL-(2S,3R,8Z)-2-N-((2'R)-HYDROXYPALMITOYL)-8-SPHINGENINE | 162623606 | Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCC=CCCCCCCCCC)O)O | 716.00 | unknown | https://doi.org/10.1021/JF001192K |
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]hexadecanamide | 76661474 | Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCC=CCCCCCCCCC)O)O | 716.00 | unknown | https://doi.org/10.1021/JF001192K |
2-hydroxy-N-[3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide | 73156994 | Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O | 714.00 | unknown | https://doi.org/10.1021/JF001192K |
CID 75014953 | 75014953 | Click to see CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 844.30 | unknown | https://doi.org/10.1021/JF001192K |
Momor-cerebroside I | 91895300 | Click to see CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 844.30 | unknown | https://doi.org/10.1021/JF001192K |
N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxydocosanamide | 72764896 | Click to see CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 816.20 | unknown | https://doi.org/10.1021/JF001192K |
N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide | 72759891 | Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 732.00 | unknown | https://doi.org/10.1021/JF001192K |
N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxypentacosanamide | 72795542 | Click to see CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 858.30 | unknown | https://doi.org/10.1021/JF001192K |
N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxytricosanamide | 72764918 | Click to see CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC=CCCCCCCCCC)O)O)O | 830.20 | unknown | https://doi.org/10.1021/JF001192K |
> Lipids and lipid-like molecules / Sphingolipids / Glycosphingolipids / Simple glycosylceramides / Glycosyl-N-acylsphingosines | |||||
Soyacerebroside II | 15599558 | Click to see CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=CCCCCCCCCC)O)O | 714.00 | unknown | https://doi.org/10.1021/JF001192K |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Pentahydroxy bile acids, alcohols and derivatives | |||||
(25S)-5alpha-cholestan-3beta,6beta,15alpha,16beta,26-pentol | 52931335 | Click to see CC(CCCC(C)C1C(C(C2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)O)O)CO | 452.70 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1002/CHIN.198644308 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids | |||||
[(3S,4S,5S,9R,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | 162935134 | Click to see CC1C2CCC3=C4CCC(C4(CCC3C2(CCC1OC(=O)C)C)C)C(C)CCCC(C)C | 442.70 | unknown | https://doi.org/10.1016/0031-9422(83)80183-6 |
[4,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | 523646 | Click to see CC1C2CCC3=C4CCC(C4(CCC3C2(CCC1OC(=O)C)C)C)C(C)CCCC(C)C | 442.70 | unknown | https://doi.org/10.1016/0031-9422(83)80183-6 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cucurbitacins | |||||
(3beta,8alpha,9beta,10alpha,13alpha,14beta,17alpha)-9-Methyl-19-norlanosta-5,24-dien-3-ol | 10251893 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)O)C)C)C | 426.70 | unknown | https://doi.org/10.1021/JF0013149 |
(3S,8R,9S,13R)-9-ethyl-4,4,13,14-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,7,8,10,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 5316233 | Click to see CCC12CCC3(C(CCC3(C1CCC4C2CCC(C4(C)C)O)C)C(C)CCCC(C)C)C | 444.80 | unknown | https://doi.org/10.1016/0039-128X(77)90011-3 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives | |||||
(1R,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol | 17750995 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 426.70 | unknown | via CMAUP database |
(3R,6S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol | 45109773 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 426.70 | unknown | via CMAUP database |
1-(1,5-Dimethyl-4-hexenyl)-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol | 91746587 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 426.70 | unknown | via CMAUP database |
17-(1,5-Dimethyl-hex-4-enyl)-4,4,13,14-tetramethyl-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3-ol | 3010871 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 426.70 | unknown | via CMAUP database |
24-Dehydrocycloartenol | 44434254 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 426.70 | unknown | via CMAUP database |
9,19-Cyclo-9beta-lanost-24-en-3beta-ol | 500213 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 426.70 | unknown | https://doi.org/10.1016/0039-128X(77)90011-3 |
9beta,19-Cyclolanost-24-en-3beta-ol | 382580 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 426.70 | unknown | via CMAUP database |
Cycloartanol | 12760132 | Click to see CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 428.70 | unknown | https://doi.org/10.1016/0039-128X(77)90011-3 |
Cycloartanol, 14-methyl- | 313075 | Click to see CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 428.70 | unknown | https://doi.org/10.1016/0039-128X(77)90011-3 |
Cycloartenol | 92110 | Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C | 426.70 | unknown | https://doi.org/10.1016/0039-128X(77)90011-3 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives | |||||
(24R)-Methylcholest-5-en-3beta-ol | 6428659 | Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | 400.70 | unknown | via CMAUP database |
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(16-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-6-methyl-5-methylideneheptanoate | 72788825 | Click to see CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)OC(=O)C)C(=O)OC5C(C(C(C(O5)CO)O)O)O | 686.90 | unknown | https://doi.org/10.1021/NP0305472 |
22,23-Dihydrobrassicasterol | 5283637 | Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | 400.70 | unknown | via CMAUP database |
5-Cholestene-3-ol, 24-methyl- | 312822 | Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | 400.70 | unknown | via CMAUP database |
Campesterol | 173183 | Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | 400.70 | unknown | via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides | |||||
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate | 163098890 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(C)C(C)C)C)C)O)O)O | 825.20 | unknown | https://doi.org/10.1021/JF001192K |
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadecanoate | 162984089 | Click to see CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(C)C(C)C)C)C)O)O)O | 829.30 | unknown | https://doi.org/10.1021/JF001192K |
[6-[[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadeca-9,12-dienoate | 77916692 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(C)C(C)C)C)C)O)O)O | 825.20 | unknown | https://doi.org/10.1021/JF001192K |
beta-D-Glucopyranoside, (3beta,24R)-ergost-5-en-3-yl, 6-hexadecanoate | 13051626 | Click to see CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(C)C(C)C)C)C)O)O)O | 801.20 | unknown | https://doi.org/10.1021/JF001192K |
Campesterol 6'-hexadecanoylglucoside | 13051625 | Click to see CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(C)C(C)C)C)C)O)O)O | 801.20 | unknown | https://doi.org/10.1021/JF001192K |
campesterol beta-D-glucoside | 12895787 | Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C | 562.80 | unknown | https://doi.org/10.1021/JF001192K |
Capsicastrine | 21575044 | Click to see CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C)C)O | 577.80 | unknown | via CMAUP database |
Certonardoside H4 | 23251484 | Click to see CC(C)C(CCC(C)C1CC(C2C1(CCC3C2CC(C4C3(CCC(C4O)O)C)O)C)O)OC5C(C(C(O5)CO)O)O | 584.80 | unknown | https://doi.org/10.1021/JF0013149 |
ST 28:1;O;Hex | 12895785 | Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C | 562.80 | unknown | https://doi.org/10.1021/JF001192K |
ST 28:1;O;Hex;FA 18:0 | 77916685 | Click to see CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(C)C(C)C)C)C)O)O)O | 829.30 | unknown | https://doi.org/10.1021/JF001192K |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins | |||||
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol | 21607802 | Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C)OC1 | 594.80 | unknown | https://doi.org/10.1007/BF00598345 |
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6S,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 162897315 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC | 1275.40 | unknown | https://doi.org/10.1016/S0031-9422(00)90366-2 |
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6S,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 162868629 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC | 1113.20 | unknown | https://doi.org/10.1016/S0031-9422(00)90366-2 |
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 162967348 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC | 1229.40 | unknown | https://doi.org/10.1021/JF0116911 |
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 163019309 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1377.50 | unknown | https://doi.org/10.1016/S0031-9422(00)90366-2 |
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 162954483 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1377.50 | unknown | https://doi.org/10.1021/JF0116911 |
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 76323353 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1423.50 | unknown | https://doi.org/10.1021/JF0116911 |
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 76316013 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1377.50 | unknown | https://doi.org/10.1021/JF0116911 |
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(2S,4S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 118701242 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1423.50 | unknown |
https://doi.org/10.1016/S0031-9422(00)90366-2 https://doi.org/10.1021/JF0116911 |
(2S,3R,4S,5R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol | 162939203 | Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)O)O)O)O)C)C)C)OC1 | 889.00 | unknown | https://doi.org/10.1007/BF00598345 |
(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | 21607801 | Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)C)C)OC1 | 756.90 | unknown | https://doi.org/10.1007/BF00598345 |
(3beta,5alpha,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-beta-D-glucopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-xylopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranoside | 131752964 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1377.50 | unknown | https://doi.org/10.1016/S0031-9422(00)90366-2 |
2-[4-[16-[3,4-Dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 72993331 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC | 1229.40 | unknown | https://doi.org/10.1021/JF0116911 |
22-O-Methyl-capsicoside D | 76316014 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC | 1391.50 | unknown | https://doi.org/10.1021/JF0116911 |
22-O-Methylcapsicoside G | 76323354 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC | 1421.50 | unknown | https://doi.org/10.1021/JF0116911 |
Capsicoside A | 441879 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1423.50 | unknown |
https://doi.org/10.1016/S0031-9422(00)90366-2 https://doi.org/10.1021/JF0116911 |
Capsicoside A1 | 73800785 | Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C)OC1 | 594.80 | unknown | https://doi.org/10.1007/BF00598345 |
Capsicoside B | 131752897 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC | 1275.40 | unknown | https://doi.org/10.1016/S0031-9422(00)90366-2 |
Capsicoside B1 | 73800784 | Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)C)C)OC1 | 756.90 | unknown | https://doi.org/10.1007/BF00598345 |
Capsicoside C | 75225104 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC | 1113.20 | unknown | https://doi.org/10.1016/S0031-9422(00)90366-2 |
Capsicoside C1 | 157010103 | Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)O)O)O)O)C)C)C)OC1 | 889.00 | unknown | https://doi.org/10.1007/BF00598345 |
Capsicoside E | 10898580 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)OC1(CCC(=C)COC1C(C(C(C(O1)CO)O)O)O)OC | 1435.50 | unknown | https://doi.org/10.1021/JF0116911 |
Capsicoside F | 76316015 | Click to see CC1=C(OC2C1C3(CCC4C(C3C2)CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O)C)C)CCC(C)COC1C(C(C(C(O1)CO)O)O)O | 1405.50 | unknown | https://doi.org/10.1021/JF0116911 |
Capsicoside G | 11115917 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1407.50 | unknown | https://doi.org/10.1021/JF0116911 |
Funkioside C | 21670026 | Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1 | 738.90 | unknown | https://doi.org/10.1007/BF00598758 |
O-Methylcapsicoside A | 76334189 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)OC | 1437.50 | unknown | https://doi.org/10.1021/JF0116911 |
Proto-desgalactotigonin | 76319738 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1215.30 | unknown | https://doi.org/10.1021/JF0116911 |
Protodegalactotigonin | 14464370 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1215.30 | unknown | https://doi.org/10.1016/S0031-9422(00)90366-2 |
Sativoside R 1 | 14464372 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1377.50 | unknown | https://doi.org/10.1021/JF0116911 |
Spirost-5-en-3-yl 4-O-hexopyranosylhexopyranoside | 148877 | Click to see CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1 | 738.90 | unknown | https://doi.org/10.1007/BF00598758 |
Uttroside B | 44566638 | Click to see CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O | 1215.30 | unknown | https://doi.org/10.1016/S0031-9422(00)90366-2 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal glycosides / Steroidal saponins / Cucurbitacin glycosides | |||||
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol | 162905838 | Click to see CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC45CC46CCC7(C(C(CC7(C6CC(C5C3(C)C)OC8C(C(C(CO8)O)O)O)C)O)C9(CCC(O9)C(C)(C)O)C)C)O)O)O)O)O | 901.10 | unknown | https://doi.org/10.1248/CPB.38.1299 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives | |||||
(-)-beta-Sitosterol | 6432744 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | 414.70 | unknown | via CMAUP database |
(Stigmast-5-en-3beta-yl) 6-O-stearoyl-beta-D-glucopyranoside | 53326868 | Click to see CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O | 843.30 | unknown | https://doi.org/10.1021/JF001192K |
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate | 101609199 | Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O | 837.30 | unknown | https://doi.org/10.1021/JF001192K |
[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate | 14101633 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O | 839.30 | unknown | https://doi.org/10.1021/JF001192K |
[6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadeca-9,12-dienoate | 75072327 | Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O | 839.30 | unknown | https://doi.org/10.1021/JF001192K |
[6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadeca-9,12,15-trienoate | 77916710 | Click to see CCC=CCC=CCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O | 837.30 | unknown | https://doi.org/10.1021/JF001192K |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 86821 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | 414.70 | unknown | via CMAUP database |
Beta-Sitosterol | 222284 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | 414.70 | unknown | via CMAUP database |
beta-Sitosterol 3-O-beta-D-galactopyranoside | 296119 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | 576.80 | unknown | https://doi.org/10.1021/JF001192K |
CID 13051622 | 13051622 | Click to see CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O | 815.30 | unknown | https://doi.org/10.1021/JF001192K |
Sitogluside | 5742590 | Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | 576.80 | unknown | https://doi.org/10.1021/JF001192K |
Sitoindoside I | 9832350 | Click to see CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O | 815.30 | unknown | https://doi.org/10.1021/JF001192K |
ST 29:1;O;Hex;FA 18:0 | 76011765 | Click to see CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O | 843.30 | unknown | https://doi.org/10.1021/JF001192K |
Stigmasterol | 5280794 | Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | 412.70 | unknown | via CMAUP database |
> Nucleosides, nucleotides, and analogues / Purine nucleosides | |||||
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one | 6021 | Click to see C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O | 268.23 | unknown | https://doi.org/10.1021/JF061404Z |
Adenosine | 60961 | Click to see C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | 267.24 | unknown | via CMAUP database |
beta-Inosine | 135402037 | Click to see C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O | 268.23 | unknown | https://doi.org/10.1021/JF061404Z |
> Nucleosides, nucleotides, and analogues / Pyrimidine nucleosides | |||||
Cytidine | 6175 | Click to see C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O | 243.22 | unknown | https://doi.org/10.1271/BBB.60482 |
Cytosar | 596 | Click to see C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O | 243.22 | unknown | https://doi.org/10.1271/BBB.60482 |
Uridine | 6029 | Click to see C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O | 244.20 | unknown | https://doi.org/10.1021/JF061404Z |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives | |||||
Acetic acid, (Z)- | 9904352 | Click to see CCN1C(=CC(=O)OCC)SC(C1=O)N2CCCCC2 | 298.40 | unknown | via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives | |||||
(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 6006 | Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 473.40 | unknown | via CMAUP database |
Leucovorin | 135403648 | Click to see C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 473.40 | unknown | https://doi.org/10.1021/JF062327A |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Phenylalanine and derivatives | |||||
D-phenylalanine | 71567 | Click to see C1=CC=C(C=C1)CC(C(=O)O)N | 165.19 | unknown | https://doi.org/10.1021/JF00024A024 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives | |||||
(4R)-4-Hydroxy-1-methyl-L-proline | 11768700 | Click to see CN1CC(CC1C(=O)O)O | 145.16 | unknown | https://doi.org/10.1271/BBB.60482 |
l-[-]-4-Hydroxy-1-methylproline | 237040 | Click to see CN1CC(CC1C(=O)O)O | 145.16 | unknown | https://doi.org/10.1271/BBB.60482 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Gamma amino acids and derivatives | |||||
Gamma-Aminobutyric Acid | 119 | Click to see C(CC(=O)O)CN | 103.12 | unknown | https://doi.org/10.1271/BBB.60482 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids and derivatives | |||||
Spumigin 582a | 146684837 | Click to see C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O | 582.60 | unknown | https://doi.org/10.1002/HLCA.19960790516 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid amides / Acetamides | |||||
N-(13-Methyltetradecyl)acetamide | 47346 | Click to see CC(C)CCCCCCCCCCCCNC(=O)C | 269.50 | unknown | https://doi.org/10.1248/YAKUSHI1947.97.12_1372 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters | |||||
4-Methylhexyl isobutyrate | 91691581 | Click to see CCC(C)CCCOC(=O)C(C)C | 186.29 | unknown | via CMAUP database |
4-Methylpentyl isobutyrate | 3084616 | Click to see CC(C)CCCOC(=O)C(C)C | 172.26 | unknown | via CMAUP database |
Ethyl Acetate | 8857 | Click to see CCOC(=O)C | 88.11 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
Heptyl 2-methylpropanoate | 61304 | Click to see CCCCCCCOC(=O)C(C)C | 186.29 | unknown | via CMAUP database |
Hexyl isobutyrate | 16872 | Click to see CCCCCCOC(=O)C(C)C | 172.26 | unknown | via CMAUP database |
Isopentyl isobutyrate | 519786 | Click to see CC(C)CCOC(=O)C(C)C | 158.24 | unknown | via CMAUP database |
Pentyl isobutyrate | 75554 | Click to see CCCCCOC(=O)C(C)C | 158.24 | unknown | via CMAUP database |
Propanoic acid 2-methylhexyl ester | 14933483 | Click to see CCCCC(C)COC(=O)CC | 172.26 | unknown | via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids | |||||
Hydron;acetate | 21980959 | Click to see [H+].CC(=O)[O-] | 60.05 | unknown | via CMAUP database |
Isobutyric acid | 6590 | Click to see CC(C)C(=O)O | 88.11 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives | |||||
(E)-but-2-enedioate;hydron | 21883788 | Click to see [H+].[H+].C(=CC(=O)[O-])C(=O)[O-] | 116.07 | unknown | via CMAUP database |
2-Oxo-2-oxonioacetate | 18676629 | Click to see [H+].[H+].C(=O)(C(=O)[O-])[O-] | 90.03 | unknown | via CMAUP database |
Oxalic acid-13C2 dihydrate | 16213469 | Click to see C(=O)(C(=O)O)O.O.O | 128.05 | unknown | via CMAUP database |
> Organic acids and derivatives / Carboxylic acids and derivatives / Pentacarboxylic acids and derivatives | |||||
[(2S,3S,4R)-4-methoxy-6-oxo-2-[(E,3S,5R,6S)-3,5,6-triacetyloxyhept-1-enyl]oxan-3-yl] acetate | 101267306 | Click to see CC(C(CC(C=CC1C(C(CC(=O)O1)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C | 458.50 | unknown | https://doi.org/10.1021/JF061404Z |
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives | |||||
2-(Carboxymethyl)-2-hydroxybutanedioate;hydron | 88113319 | Click to see [H+].[H+].C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O | 192.12 | unknown | via CMAUP database |
cis-Aconitic acid | 643757 | Click to see C(C(=CC(=O)O)C(=O)O)C(=O)O | 174.11 | unknown | via CMAUP database |
trans-Aconitic acid | 444212 | Click to see C(C(=CC(=O)O)C(=O)O)C(=O)O | 174.11 | unknown | https://doi.org/10.1016/J.FCT.2012.11.036 |
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives | |||||
(2S)-2-Hydroxybutanedioic acid | 222656 | Click to see C(C(C(=O)O)O)C(=O)O | 134.09 | unknown | via CMAUP database |
D-malate | 92824 | Click to see C(C(C(=O)O)O)C(=O)O | 134.09 | unknown | via CMAUP database |
Hydron;2-hydroxybutanedioate | 20130941 | Click to see [H+].[H+].C(C(C(=O)[O-])O)C(=O)[O-] | 134.09 | unknown | via CMAUP database |
> Organic acids and derivatives / Keto acids and derivatives / Alpha-keto acids and derivatives | |||||
Pyruvic Acid | 1060 | Click to see CC(=O)C(=O)O | 88.06 | unknown | via CMAUP database |
> Organic acids and derivatives / Organic carbonic acids and derivatives / Ureas | |||||
Trimethylurea | 12435 | Click to see CNC(=O)N(C)C | 102.14 | unknown | https://doi.org/10.1016/J.JPBA.2007.07.025 |
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines / Acyl cholines | |||||
Acetylcholine | 187 | Click to see CC(=O)OCC[N+](C)(C)C | 146.21 | unknown | https://doi.org/10.1002/PTR.2650010211 |
> Organic oxygen compounds / Organic oxides | |||||
beta-Cyclocitral | 9895 | Click to see CC1=C(C(CCC1)(C)C)C=O | 152.23 | unknown | via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives | |||||
Cyclobutanol | 76218 | Click to see C1CC(C1)O | 72.11 | unknown | via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Polyols / 1,2-diols | |||||
Rishitin | 108064 | Click to see CC1C(C(CC2=C1CC(CC2)C(=C)C)O)O | 222.32 | unknown | https://doi.org/10.1016/S0031-9422(00)89733-2 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols | |||||
1-Pentanol | 6276 | Click to see CCCCCO | 88.15 | unknown | via CMAUP database |
2-Penten-1-OL | 5364920 | Click to see CCC=CCO | 86.13 | unknown | via CMAUP database |
4-Methyl-1-pentanol | 12296 | Click to see CC(C)CCCO | 102.17 | unknown | via CMAUP database |
4-Methyl-3-penten-1-ol | 136582 | Click to see CC(=CCCO)C | 100.16 | unknown | via CMAUP database |
cis-2-Penten-1-ol | 5364919 | Click to see CCC=CCO | 86.13 | unknown | via CMAUP database |
Ethanol | 702 | Click to see CCO | 46.07 | unknown | via CMAUP database |
Isoamyl alcohol | 31260 | Click to see CC(C)CCO | 88.15 | unknown | via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols | |||||
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]hexadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol | 29921731 | Click to see CC1=C(C(CC(C1)O)(C)C)C=CC=CC=CC=CC=CC=CC=CC=CC2=C(CC(CC2(C)C)O)C | 486.70 | unknown | via CMAUP database |
(R)-(-)-2-Pentanol | 7014876 | Click to see CCCC(C)O | 88.15 | unknown | via CMAUP database |
(R)-1-Pentene-3-ol | 6994331 | Click to see CCC(C=C)O | 86.13 | unknown | via CMAUP database |
(S)-(+)-2-Pentanol | 2724896 | Click to see CCCC(C)O | 88.15 | unknown | via CMAUP database |
1-Penten-3-OL | 12020 | Click to see CCC(C=C)O | 86.13 | unknown | via CMAUP database |
2-Pentanol | 22386 | Click to see CCCC(C)O | 88.15 | unknown | via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds | |||||
3-[(1S,4S,6S,9R,10R,13R,14R)-4-hydroxy-6-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one | 163007798 | Click to see CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC4(C5=O)CCC3(C2)O)C6=CC(=O)OC6)C)C)OC)O | 532.70 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1016/S0031-9422(00)89686-7 https://doi.org/10.1021/JF001192K https://doi.org/10.1002/CHIN.198644308 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides | |||||
(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid | 5280550 | Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CC(=O)O | 386.30 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methyl (2R)-3-hydroxy-2-methylpropanoate | 163186852 | Click to see CC(CO)C(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C=CCO)OC)O)O)O | 428.40 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxan-2-yl]methyl (2S)-3-hydroxy-2-methylpropanoate | 163018752 | Click to see CC(CO)C(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C=CCO)OC)O)O)O | 428.40 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
[3,4,5-Trihydroxy-6-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]oxan-2-yl]methyl 3-hydroxy-2-methylpropanoate | 73880831 | Click to see CC(CO)C(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C=CCO)OC)O)O)O | 428.40 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
3-[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid | 73208527 | Click to see C1=CC(=CC=C1C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O | 326.30 | unknown | https://doi.org/10.1021/JF0013454 |
3-[4-[3,4,5-Trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid | 162972089 | Click to see C1=CC(=CC=C1C=CC(=O)O)OC2C(C(C(C(O2)COC(=O)C3=CC=C(C=C3)O)O)O)O | 446.40 | unknown | https://doi.org/10.1007/S10600-010-9611-8 |
4-[6-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxybenzoic acid | 85363635 | Click to see C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)C(=O)O)O)O)O)O)O)O | 478.40 | unknown | https://doi.org/10.1021/JF0013149 |
4-O-(6'-O-p-hydroxybenzoyl-beta-d-glucopyranosyl)-cis-p-coumaric acid | 129881861 | Click to see C1=CC(=CC=C1C=CC(=O)O)OC2C(C(C(C(O2)COC(=O)C3=CC=C(C=C3)O)O)O)O | 446.40 | unknown | https://doi.org/10.1007/S10600-010-9611-8 |
4'-O-beta-D-glucosyl-cis-p-coumaric acid | 10604651 | Click to see C1=CC(=CC=C1C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O | 326.30 | unknown | https://doi.org/10.1021/JF0013454 |
Capsaicin beta-D-Glucopyranoside | 10027593 | Click to see CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC | 467.60 | unknown | https://doi.org/10.1021/JF0607720 |
Lavandoside | 13916049 | Click to see COC1=C(C=CC(=C1)C=CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O | 356.32 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
N-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-8-methylnonanamide | 89870700 | Click to see CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC | 469.60 | unknown | https://doi.org/10.1021/JF0607720 |
N-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-8-methylnon-6-enamide | 76453853 | Click to see CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC | 467.60 | unknown | https://doi.org/10.1021/JF0607720 |
N-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-8-methylnonanamide | 68010243 | Click to see CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC | 469.60 | unknown | https://doi.org/10.1021/JF0607720 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides | |||||
(1R,2R,4S)-1-[(E,3R)-3-hydroxybut-1-enyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol | 162904663 | Click to see CC(C=CC12C(CC(O1)CC2(C)O)(C)C)O | 226.31 | unknown | https://doi.org/10.1002/CHIN.198644308 |
1-(3-Hydroxybut-1-enyl)-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol | 75239381 | Click to see CC(C=CC12C(CC(O1)CC2(C)O)(C)C)O | 226.31 | unknown | https://doi.org/10.1002/CHIN.198644308 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Pyranoid amino acids and derivatives | |||||
Legionaminic acid | 70678967 | Click to see CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O | 250.25 | unknown | https://doi.org/10.1021/NP030400A |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols | |||||
(2S)-2-methylbutane-1,2,3,4-tetrol | 138113829 | Click to see CC(CO)(C(CO)O)O | 136.15 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC15955/ |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Acyloins | |||||
Acetoin | 179 | Click to see CC(C(=O)C)O | 88.11 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes | |||||
Isovaleraldehyde | 11552 | Click to see CC(C)CC=O | 86.13 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes | |||||
5-Methylfurfural | 12097 | Click to see CC1=CC=C(O1)C=O | 110.11 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
Furfural | 7362 | Click to see C1=COC(=C1)C=O | 96.08 | unknown | via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes | |||||
(Z)-2-hexenal | 6428782 | Click to see CCCC=CC=O | 98.14 | unknown | via CMAUP database |
(Z)-Non-2-enal | 5354833 | Click to see CCCCCCC=CC=O | 140.22 | unknown | via CMAUP database |
2-Hexenal | 5281168 | Click to see CCCC=CC=O | 98.14 | unknown | via CMAUP database |
2-Nonenal | 5283335 | Click to see CCCCCCC=CC=O | 140.22 | unknown | via CMAUP database |
2-Octenal | 5283324 | Click to see CCCCCC=CC=O | 126.20 | unknown | via CMAUP database |
2-Octenal, (2Z)- | 6427080 | Click to see CCCCCC=CC=O | 126.20 | unknown | via CMAUP database |
Decanal | 8175 | Click to see CCCCCCCCCC=O | 156.26 | unknown | via CMAUP database |
Heptanal | 8130 | Click to see CCCCCCC=O | 114.19 | unknown | via CMAUP database |
Hexanal | 6184 | Click to see CCCCCC=O | 100.16 | unknown | via CMAUP database |
Nonanal | 31289 | Click to see CCCCCCCCC=O | 142.24 | unknown | via CMAUP database |
Octanal | 454 | Click to see CCCCCCCC=O | 128.21 | unknown | via CMAUP database |
trans-2,cis-6-Nonadienal | 643731 | Click to see CCC=CCCC=CC=O | 138.21 | unknown | via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Short-chain aldehydes | |||||
2-Methylbutyraldehyde | 7284 | Click to see CCC(C)C=O | 86.13 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones | |||||
6,11-Dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione | 163030210 | Click to see CC(=CC=CC(=O)C)C=CC=CC(=CC=CC(=O)C)C | 270.40 | unknown | https://doi.org/10.1021/JF0013149 |
9,9'-Diapo-10,9'-retro-carotene-9,9'-dione | 101716227 | Click to see CC(=CC=CC(=O)C)C=CC=CC(=CC=CC(=O)C)C | 270.40 | unknown | https://doi.org/10.1021/JF0013149 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones | |||||
2-Cyclopenten-1-one | 13588 | Click to see C1CC(=O)C=C1 | 82.10 | unknown | via CMAUP database |
3-Methyl-2-cyclopenten-1-one | 17691 | Click to see CC1=CC(=O)CC1 | 96.13 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
Cyclotene | 6660 | Click to see CC1=C(C(=O)CC1)O | 112.13 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones | |||||
[3-(3,5-dimethylhepta-1,3-dienyl)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate | 78412001 | Click to see CCC(C)C=C(C)C=CC1=CC2=CC(=O)C(C(C2CO1)OC(=O)C)(C)O | 360.40 | unknown |
https://doi.org/10.1002/HLCA.19960790516 https://doi.org/10.1021/JF010338S https://doi.org/10.1002/HLCA.19910740416 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones | |||||
2-Heptanone | 8051 | Click to see CCCCCC(=O)C | 114.19 | unknown | via CMAUP database |
2-Undecanone | 8163 | Click to see CCCCCCCCCC(=O)C | 170.29 | unknown | via CMAUP database |
3-Methyl-2-butanone | 11251 | Click to see CC(C)C(=O)C | 86.13 | unknown | via CMAUP database |
3-Pentanone | 7288 | Click to see CCC(=O)CC | 86.13 | unknown | via CMAUP database |
6-Methyl-5-hepten-2-one | 9862 | Click to see CC(=CCCC(=O)C)C | 126.20 | unknown | via CMAUP database |
Acetone | 180 | Click to see CC(=O)C | 58.08 | unknown | via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones | |||||
(2R)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-2-methylbutan-1-one | 162929680 | Click to see CCC(C)C(=O)C1=C2C(=C(C(=C1O)CC3=C(C(=C(C(=C3O)C)O)C(=O)C)O)O)C=CC(O2)(C)C | 470.50 | unknown | https://doi.org/10.1002/CHIN.198644308 |
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers | |||||
2-Methoxy-1-propanol | 14846 | Click to see CC(CO)OC | 90.12 | unknown |
https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF950354N |
> Organoheterocyclic compounds / Benzodioxoles | |||||
Myristicin | 4276 | Click to see COC1=CC(=CC2=C1OCO2)CC=C | 192.21 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Benzofurans | |||||
(6r,7As)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5h-1-benzofuran-2-one | 12311357 | Click to see CC1(CC(CC2(C1=CC(=O)O2)C)O)C | 196.24 | unknown | https://doi.org/10.1021/JF061404Z |
(7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one | 12311356 | Click to see CC1(CC(CC2(C1=CC(=O)O2)C)O)C | 196.24 | unknown | via CMAUP database |
6-Hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one | 14334 | Click to see CC1(CC(CC2(C1=CC(=O)O2)C)O)C | 196.24 | unknown | https://doi.org/10.1021/JF061404Z |
Loliolide | 100332 | Click to see CC1(CC(CC2(C1=CC(=O)O2)C)O)C | 196.24 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Diazines / Pyrazines | |||||
2,3,5,6-Tetramethylpyrazine | 14296 | Click to see CC1=C(N=C(C(=N1)C)C)C | 136.19 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Organoheterocyclic compounds / Diazines / Pyrazines / Methoxypyrazines | |||||
2-Isobutyl-3-methoxypyrazine | 32594 | Click to see CC(C)CC1=NC=CN=C1OC | 166.22 | unknown | https://doi.org/10.1016/J.FCT.2012.11.036 |
> Organoheterocyclic compounds / Dihydrofurans / Furanones | |||||
Furaneol | 19309 | Click to see CC1C(=O)C(=C(O1)C)O | 128.13 | unknown | https://doi.org/10.1007/S002170050019 |
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides | |||||
3-Hydroxy-4,5-dimethylfuran-2(5H)-one | 62835 | Click to see CC1C(=C(C(=O)O1)O)C | 128.13 | unknown | https://doi.org/10.1007/S002170050019 |
Ascorbic Acid | 54670067 | Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O | 176.12 | unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1253379/ https://doi.org/10.1300/J044V03N02_08 |
D-ascorbic acid | 54690394 | Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O | 176.12 | unknown | via CMAUP database |
D-erythro-Hex-2-enonic acid, gamma-lactone | 54676860 | Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O | 176.12 | unknown | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1253379/ |
L-[2-13C]ascorbic acid | 54676536 | Click to see C(C(C1C(=C(C(=O)O1)O)O)O)O | 176.12 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Dioxolanes / 1,2-dioxolanes | |||||
8-Hydroxy-8-(3-hydroxybut-1-enyl)-1,5-dimethyl-6,7-dioxabicyclo[3.2.1]octan-3-one | 162966098 | Click to see CC(C=CC1(C2(CC(=O)CC1(OO2)C)C)O)O | 242.27 | unknown | https://doi.org/10.1021/NP0305472 |
> Organoheterocyclic compounds / Heteroaromatic compounds | |||||
2-Ethylfuran | 18554 | Click to see CCC1=CC=CO1 | 96.13 | unknown | via CMAUP database |
2-Furanol | 179383 | Click to see C1=COC(=C1)O | 84.07 | unknown | https://doi.org/10.1007/S002170050019 |
2-Methylfuran | 10797 | Click to see CC1=CC=CO1 | 82.10 | unknown | via CMAUP database |
2-Pentylfuran | 19602 | Click to see CCCCCC1=CC=CO1 | 138.21 | unknown | https://doi.org/10.1021/JF980653N |
2-Pentylthiophene | 20995 | Click to see CCCCCC1=CC=CS1 | 154.27 | unknown | via CMAUP database |
Furfuryl alcohol | 7361 | Click to see C1=COC(=C1)CO | 98.10 | unknown | via CMAUP database |
Perillene | 68316 | Click to see CC(=CCCC1=COC=C1)C | 150.22 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Indolizidines | |||||
Isocorynoxeine | 3037448 | Click to see COC=C(C1CC2C3(CCN2CC1C=C)C4=CC=CC=C4NC3=O)C(=O)OC | 382.50 | unknown | via CMAUP database |
Isomitraphylline | 11726520 | Click to see CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O | 368.40 | unknown | via CMAUP database |
Isopteropodine | 9885603 | Click to see CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O | 368.40 | unknown | via CMAUP database |
Mitraphylline | 94160 | Click to see CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O | 368.40 | unknown | via CMAUP database |
Pteropodine | 10429112 | Click to see CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O | 368.40 | unknown | via CMAUP database |
Speciophylline | 168985 | Click to see CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O | 368.40 | unknown | via CMAUP database |
Uncarine F | 12304288 | Click to see CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O | 368.40 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Lactones / Beta propiolactones | |||||
(-)-beta-Butyrolactone | 6998969 | Click to see CC1CC(=O)O1 | 86.09 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones | |||||
CID 162977223 | 162977223 | Click to see CC1CC2(C(CC(C3(C2=C)CO3)OC(=O)C)C(=O)C14CC(OC4=O)C5=COC=C5)O | 416.40 | unknown |
https://doi.org/10.1021/JF000958D https://doi.org/10.1021/JF00034A018 https://doi.org/10.1021/JF950354N |
gamma-Butyrolactone | 7302 | Click to see C1CC(=O)OC1 | 86.09 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Organoheterocyclic compounds / Naphthopyrans | |||||
(1S,8R,9S,12R,13R,14R,15R,16S)-15-chloro-8-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-13,14-dihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione | 11387018 | Click to see CC(C)C1=C2C(C3C4C(C(C(C(C4(C2=CC(=O)O1)C)Cl)O)O)(C(=O)O3)C)OC5C(C(CO5)(CO)O)O | 530.90 | unknown | https://doi.org/10.1021/JF0013149 |
7-Methoxypaxilline | 145721023 | Click to see CC12CCC3(C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O)OC | 465.60 | unknown | https://doi.org/10.1002/HLCA.19980810534 |
> Organoheterocyclic compounds / Oxanes | |||||
Eucalyptol | 2758 | Click to see CC1(C2CCC(O1)(CC2)C)C | 154.25 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Oxepanes | |||||
(+)-cis-Limonene 1,2-epoxide | 6432653 | Click to see CC(=C)C1CCC2(C(C1)O2)C | 152.23 | unknown | via CMAUP database |
(1R,5R,8S)-8-hydroxy-8-[(E,3S)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one | 162949097 | Click to see CC(C=CC1(C2(CC(=O)CC1(OC2)C)C)O)O | 240.29 | unknown | https://doi.org/10.1021/NP0305472 |
(1S,5S,8S)-8-hydroxy-8-[(E)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one | 44559359 | Click to see CC(C=CC1(C2(CC(=O)CC1(OC2)C)C)O)O | 240.29 | unknown | via CMAUP database |
8-Hydroxy-8-(3-hydroxybut-1-enyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one | 156885 | Click to see CC(C=CC1(C2(CC(=O)CC1(OC2)C)C)O)O | 240.29 | unknown | https://doi.org/10.1021/NP0305472 |
Limonene oxide | 91496 | Click to see CC(=C)C1CCC2(C(C1)O2)C | 152.23 | unknown | via CMAUP database |
Limonene oxide, (-)- | 10953718 | Click to see CC(=C)C1CCC2(C(C1)O2)C | 152.23 | unknown | via CMAUP database |
Limonene oxide, trans-(-)- | 8029780 | Click to see CC(=C)C1CCC2(C(C1)O2)C | 152.23 | unknown | via CMAUP database |
Limonene-1,2-epoxide | 441245 | Click to see CC(=C)C1CCC2(C(C1)O2)C | 152.23 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Folic acids and derivatives / Folic acids | |||||
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid | 3080544 | Click to see C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CN=C3C(=N2)C(=O)N=C(N3)N)C=O | 469.40 | unknown | via CMAUP database |
10-Formylfolic acid | 135405023 | Click to see C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CN=C3C(=N2)C(=O)NC(=N3)N)C=O | 469.40 | unknown | https://doi.org/10.1021/JF062327A |
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Pterin carboxylates | |||||
2-amino-4-hydroxypteridine-6-carboxylic acid | 5320887 | Click to see C1=C(N=C2C(=N1)N=C(N=C2O)N)C(=O)O | 207.15 | unknown | via CMAUP database |
2-amino-4-oxo-1H-pteridine-6-carboxylic acid | 70361 | Click to see C1=C(N=C2C(=N1)NC(=NC2=O)N)C(=O)O | 207.15 | unknown | https://doi.org/10.1016/J.JPBA.2007.07.025 |
> Organoheterocyclic compounds / Pteridines and derivatives / Pterins and derivatives / Tetrahydrofolic acids and derivatives / Tetrahydrofolic acids | |||||
(2R)-2-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 439234 | Click to see CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 459.50 | unknown | via CMAUP database |
(2S)-2-[[4-[(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 9825434 | Click to see CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 459.50 | unknown | https://doi.org/10.1021/JF062327A |
(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate | 6560146 | Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-] | 471.40 | unknown | via CMAUP database |
(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid | 149436 | Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 473.40 | unknown | via CMAUP database |
(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid | 444412 | Click to see CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 459.50 | unknown | via CMAUP database |
2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | 143 | Click to see C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O | 473.40 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives | |||||
4H-Pyran-4-one | 7968 | Click to see C1=COC=CC1=O | 96.08 | unknown | via CMAUP database |
Maltol | 8369 | Click to see CC1=C(C(=O)C=CO1)O | 126.11 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Organoheterocyclic compounds / Pyridines and derivatives | |||||
Pyridine | 1049 | Click to see C1=CC=NC=C1 | 79.10 | unknown | https://doi.org/10.1006/JFCA.1997.0535 |
> Organoheterocyclic compounds / Pyridines and derivatives / Hydroxypyridines | |||||
3-Hydroxypyridine | 7971 | Click to see C1=CC(=CN=C1)O | 95.10 | unknown | https://doi.org/10.1016/J.JPBA.2007.07.025 |
> Organoheterocyclic compounds / Pyrroles / Substituted pyrroles / N-substituted pyrroles / N-methylpyrroles | |||||
1-Methylpyrrole | 7304 | Click to see CN1C=CC=C1 | 81.12 | unknown | via CMAUP database |
> Organoheterocyclic compounds / Pyrrolidines | |||||
N-Nitrosopyrrolidine | 13591 | Click to see C1CCN(C1)N=O | 100.12 | unknown | https://doi.org/10.1016/0304-3835(88)90018-3 |
> Organosulfur compounds / Thioethers / Dialkylthioethers | |||||
Dimethyl sulfide | 1068 | Click to see CSC | 62.14 | unknown | via CMAUP database |
> Organosulfur compounds / Thiols / Alkylthiols | |||||
(R)-2-Heptanethiol | 76961479 | Click to see CCCCCC(C)S | 132.27 | unknown | via CMAUP database |
(S)-2-Heptanethiol | 76961478 | Click to see CCCCCC(C)S | 132.27 | unknown | via CMAUP database |
2-Heptanethiol | 522071 | Click to see CCCCCC(C)S | 132.27 | unknown | via CMAUP database |
> Phenylpropanoids and polyketides / 2-arylbenzofuran flavonoids | |||||
2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide | 5322012 | Click to see COC1=CC(=CC2=C1OC(C2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)C=CC(=O)NCCC5=CC=C(C=C5)O | 624.70 | unknown | https://doi.org/10.1271/BBB1961.45.2593 |
2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide | 338256 | Click to see COC1=CC(=CC2=C1OC(C2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)C=CC(=O)NCCC5=CC=C(C=C5)O | 624.70 | unknown | https://doi.org/10.1080/00021369.1981.10864909 |
Tataramide B | 100916556 | Click to see COC1=CC(=CC2=C1OC(C2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)C=CC(=O)NCCC5=CC=C(C=C5)O | 624.70 | unknown | https://doi.org/10.1080/00021369.1981.10864909 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids | |||||
2-Propenoic acid, 3-phenyl- | 8784 | Click to see C1=CC=C(C=C1)C=CC(=O)O | 148.16 | unknown | https://doi.org/10.1271/BBB.58.1141 |
Cinnamic acid | 444539 | Click to see C1=CC=C(C=C1)C=CC(=O)O | 148.16 | unknown |
https://doi.org/10.1271/BBB.58.1141 https://doi.org/10.1021/JF00024A024 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives | |||||
(R)-N-trans-Feruloyloctopamine | 11151622 | Click to see COC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O | 329.30 | unknown | https://doi.org/10.1080/00021369.1981.10864909 |
Feruloyl glucose | 22842356 | Click to see COC1=C(C=CC(=C1)C=CC(=O)C(=O)C(C(C(C(CO)O)O)O)O)O | 356.32 | unknown | https://doi.org/10.1021/JF0497915 |
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide | 74178121 | Click to see COC1=C(C=CC(=C1)C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O | 329.30 | unknown | https://doi.org/10.1080/00021369.1981.10864909 |
n-cis-Feruloyltyramine | 6440659 | Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O | 313.30 | unknown |
https://doi.org/10.1021/NP0305472 https://doi.org/10.1080/00021369.1981.10864909 |
N-feruloyltyramine; Moupinamide | 125213 | Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O | 313.30 | unknown |
https://doi.org/10.1021/NP0305472 https://doi.org/10.1080/00021369.1981.10864909 |
p-Coumaroyl-D-glucose | 21039417 | Click to see C1=CC(=CC=C1C=CC(=O)C(=O)C(C(C(C(CO)O)O)O)O)O | 326.30 | unknown | https://doi.org/10.1021/JF0497915 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives | |||||
(S)-p-Coumaroyloctopamine | 11185637 | Click to see C1=CC(=CC=C1C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O | 299.32 | unknown | https://doi.org/10.1080/00021369.1981.10864909 |
Cinnamamide, p-hydroxy-N-(p-hydroxyphenethyl)- | 89322 | Click to see C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O | 283.32 | unknown |
https://doi.org/10.1021/NP0305472 https://doi.org/10.1080/00021369.1981.10864909 |
cis-N-p-coumaroyltyramine | 13939145 | Click to see C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O | 283.32 | unknown | https://doi.org/10.1021/NP0305472 |
coumaroyl(3-OMe)(-2)Glc | 25245871 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2O)CO)O)O)O | 356.32 | unknown | https://doi.org/10.1021/JF0497915 |
Paprazine | 5372945 | Click to see C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O | 283.32 | unknown |
https://doi.org/10.1021/NP0305472 https://doi.org/10.1080/00021369.1981.10864909 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acid esters / Hydroxycinnamic acid glycosides | |||||
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | 72983454 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O | 356.32 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate | 4628123 | Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O | 386.30 | unknown |
https://doi.org/10.1016/S0031-9422(03)00282-6 https://doi.org/10.1021/JF0013454 |
1-Caffeoyl-beta-D-glucose | 5281761 | Click to see C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O)O | 342.30 | unknown | via CMAUP database |
1-O-feruloyl-beta-D-glucose | 13962928 | Click to see COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O | 356.32 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
1-o-p-Coumaroyl-beta-d-glucose | 14158116 | Click to see C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O)O | 326.30 | unknown | https://doi.org/10.1021/JF0497915 |
1-O-Sinapoyl-beta-D-glucose | 5280406 | Click to see COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O | 386.30 | unknown |
https://doi.org/10.1016/S0031-9422(03)00282-6 https://doi.org/10.1021/JF0013454 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids | |||||
Caffeic Acid | 689043 | Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O | 180.16 | unknown |
https://doi.org/10.1021/JF00024A024 https://doi.org/10.1271/BBB.58.1141 |
Ferulic acid | 445858 | Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O | 194.18 | unknown | https://doi.org/10.1271/BBB.58.1141 |
p-Coumaric acid | 637542 | Click to see C1=CC(=CC=C1C=CC(=O)O)O | 164.16 | unknown | https://doi.org/10.1271/BBB.58.1141 |
> Phenylpropanoids and polyketides / Cinnamyl alcohols | |||||
p-Coumaryl alcohol | 5280535 | Click to see C1=CC(=CC=C1C=CCO)O | 150.17 | unknown | via CMAUP database |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins | |||||
3-Hydroxycoumarin | 13650 | Click to see C1=CC=C2C(=C1)C=C(C(=O)O2)O | 162.14 | unknown | via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids | |||||
Procyanidin B3 | 146798 | Click to see C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O | 578.50 | unknown | https://doi.org/10.1021/JF000549H |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins | |||||
Cianidanol | 9064 | Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O | 290.27 | unknown | via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones | |||||
5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one | 932 | Click to see C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O | 272.25 | unknown | https://doi.org/10.1016/S0021-9673(97)01061-3 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones | |||||
Luteolin | 5280445 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O | 286.24 | unknown |
https://doi.org/10.1021/JF990916T https://doi.org/10.1111/J.1365-2621.1995.TB09806.X https://doi.org/10.1016/S0021-9673(97)01061-3 |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols | |||||
Quercetin | 5280343 | Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | 302.23 | unknown |
https://doi.org/10.1111/J.1365-2621.1995.TB09806.X https://doi.org/10.1021/JF990916T |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides | |||||
Isoscoparin | 442611 | Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O | 462.40 | unknown | via CMAUP database |
Swertisin 2''-O-arabinoside | 44258322 | Click to see COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(CO5)O)O)O | 578.50 | unknown |
https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1002/CHIN.198644308 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides | |||||
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one | 161663063 | Click to see C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC(=C(C=C5)O)O)O)O)O | 580.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | 44257674 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O | 594.50 | unknown | via CMAUP database |
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one | 154496799 | Click to see C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O | 564.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
8-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | 162962526 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O | 580.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
8-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | 162864113 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O | 564.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
8-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | 162962525 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O | 580.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
8-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | 10053626 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O | 564.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
Orientin | 5281675 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O | 448.40 | unknown | via CMAUP database |
Schaftoside | 442658 | Click to see C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O | 564.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
Vicenin 2 | 442664 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O | 594.50 | unknown | via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides | |||||
2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-chromen-4-one | 5353915 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | 448.40 | unknown |
https://doi.org/10.1021/JF061404Z https://doi.org/10.1021/JF0497915 https://doi.org/10.1021/JF035331K https://doi.org/10.1016/S0031-9422(03)00282-6 https://doi.org/10.1021/JF0013454 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one | 15939939 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | 448.40 | unknown | via CMAUP database |
quercetin 3-O-alpha-L-fucopyranoside | 5359430 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | 448.40 | unknown | https://doi.org/10.1021/JF0497915 |
Quercitrin | 5280459 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O | 448.40 | unknown |
https://doi.org/10.1021/JF061404Z https://doi.org/10.1016/S0031-9422(03)00282-6 https://doi.org/10.1021/JF0013454 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides | |||||
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one | 139031036 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O | 610.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one | 14484601 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O | 610.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
3-[[(2R,3R,4S,5R,6S)-5-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4-hydroxy-3-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid | 163085079 | Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)COC(=O)CC(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)(CO)O | 828.70 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
3-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-4-oxochromen-7-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid | 101260574 | Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC(=C(C=C5)O)O)COC(=O)CC(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)(CO)O | 812.70 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
3-[[(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid | 102210458 | Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)COC(=O)CC(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)(CO)O | 828.70 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
3-[[5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid | 74977670 | Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)COC(=O)CC(=O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)(CO)O | 828.70 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
4H-1-Benzopyran-4-one, 7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy- | 78358515 | Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O | 610.50 | unknown | via CMAUP database |
7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one | 14281860 | Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)(CO)O | 580.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one | 14281859 | Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)(CO)O | 580.50 | unknown |
https://doi.org/10.1271/BBB.69.1831 https://doi.org/10.1016/S0031-9422(03)00282-6 |
Apigenin 7-O-glucoside | 5385553 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O | 432.40 | unknown | https://doi.org/10.1007/S10600-011-0028-9 |
Apigetrin | 5280704 | Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O | 432.40 | unknown | https://doi.org/10.1007/S10600-011-0028-9 |
Graveobioside A | 101248035 | Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)(CO)O | 580.50 | unknown |
https://doi.org/10.1271/BBB.69.1831 https://doi.org/10.1016/S0031-9422(03)00282-6 |
Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside | 102130970 | Click to see C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)COC(=O)CC(=O)O)O)O)O)(CO)O | 666.50 | unknown | https://doi.org/10.1021/JF0497915 |
Luteolin 7-O-glucoside | 5280637 | Click to see C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O | 448.40 | unknown | via CMAUP database |
Quercetin 3-galactoside 7-rhamnoside | 14130922 | Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O | 610.50 | unknown | via CMAUP database |
quercetin 3-O-rhamnoside-7-O-glucoside | 25245356 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O | 610.50 | unknown | via CMAUP database |
Quercetin 3-rhamnoside-7-glucoside | 6325870 | Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O | 610.50 | unknown | https://doi.org/10.1016/S0031-9422(03)00282-6 |
Vincetoxicoside A | 25080064 | Click to see CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O | 610.50 | unknown | via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanones / 6-prenylated isoflavanones | |||||
5-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one | 25231268 | Click to see CC(=CCC1=C(C=CC(=C1)C2=COC3=C4C=CC(OC4=C(C(=C3C2=O)O)CC=C(C)C)(C)C)O)C | 472.60 | unknown | https://doi.org/10.1002/HLCA.19980810534 |
> Phenylpropanoids and polyketides / Macrolide lactams | |||||
[1-[7-[24-(2-Methylbutanoyloxy)-10,13-dioxo-9,26,27-trioxa-12-azatricyclo[19.4.1.11,22]heptacos-14-en-8-yl]-7-sulfooxyheptoxy]-3-sulfooxypropan-2-yl]sulfamic acid | 163067824 | Click to see CCC(C)C(=O)OC1CC2C3CCCCCC=CC(=O)NCC(=O)OC(CCCCCCC(C1)(O3)O2)C(CCCCCCOCC(COS(=O)(=O)O)NS(=O)(=O)O)OS(=O)(=O)O | 951.10 | unknown |
https://doi.org/10.1002/HLCA.19960790516 https://doi.org/10.1002/HLCA.19980810534 https://doi.org/10.1002/CHIN.198644308 https://doi.org/10.1002/HLCA.19910740416 |
> Phenylpropanoids and polyketides / Phenylpropanoic acids | |||||
3-(3,4-Dihydroxyphenyl)propionic acid | 348154 | Click to see C1=CC(=C(C=C1CCC(=O)O)O)O | 182.17 | unknown | via CMAUP database |
> Phenylpropanoids and polyketides / Stilbenes / Stilbene glycosides | |||||
CID 124222263 | 124222263 | Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(CC3=CC(=C(C=C3)O)OC)CO)C=CCO | 522.50 | unknown | https://doi.org/10.1021/JF0013454 |
Icariside E5 | 91884923 | Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(CC3=CC(=C(C=C3)O)OC)CO)C=CCO | 522.50 | unknown | https://doi.org/10.1021/JF0013454 |
> Phenylpropanoids and polyketides / Tannins / Hydrolyzable tannins | |||||
1-O-vanilloyl-beta-D-glucose | 14132344 | Click to see COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)O | 330.29 | unknown | https://doi.org/10.1021/JF0013454 |
Benzoic acid + 1O, 1MeO, O-Hex | 14132343 | Click to see COC1=C(C=CC(=C1)C(=O)OC2C(C(C(C(O2)CO)O)O)O)O | 330.29 | unknown | https://doi.org/10.1021/JF0013454 |
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