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

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Filter by language:

Language	Common/alternative name
English	pepper
English	cayenne pepper
Spanish	chile
Spanish	ají
Spanish	pimiento morrón
Afrikaans	paprika
Akan	mako
Arabic	فليفلة حولية
Arabic	فلفل أحمر
Arabic	فلفل حار
Arabic	فلفل رومي
Arabic	فلفل شطة
Arabic	شطة
Azerbaijani	birillik istiot
Azerbaijani	saplaqlı istiot
ba	Ҡыҙыл борос
bar	paprika
bar	peperóni
Belarusian	перац агароднінны
Bulgarian	Пипер
Bulgarian	пипер
Bosnian	paprika
Catalan	pebrotera
cdo	huăng-ciĕu
co	pivaronu
Czech	paprika setá
Czech	paprika roční
cv	Хутаçлă пĕрçуллăх пăрăç
Welsh	pupryn melys
Welsh	c. rubella
Danish	spansk peber
German	paprika
German	spanischer pfeffer
Ewe	atadi
Greek	Πιπεριά
Greek	πιπεριά
Estonian	harilik paprika
Basque	piper
Persian	فلفل آنوم
Finnish	paprika
Finnish	ruokapaprika
French	piment
French	poivron
frr	paprika
frr	spoonsk pöber
Galician	pemento
Galician	pementeira
Hausa	barkono
hak	青椒
hak	tshiâng-tséu
Hebrew	פלפל
Croatian	jednogodišnja paprika
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
kus	nanzʋ'ʋs
lad	piminton
Lithuanian	vienametė paprika
Latvian	dārzeņpipars
Macedonian	Пиперка
Macedonian	пиперка
Malayalam	മുളക്
Malayalam	വറ്റൽ മുളക്
Malay	cili besar
mwl	pomiento
mwl	ñoura
Norwegian Bokmål	spansk pepper
Norwegian Bokmål	paprika
nia	bua lada
Dutch	spaanse peper
Dutch	paprika
Norwegian Nynorsk	paprika
Polish	papryka roczna
Portuguese	pimentão
Portuguese	pimento
Portuguese	noras
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
tw	mako
ug	مۇچ
Ukrainian	овочевий перець
Ukrainian	паприка
Ukrainian	болгарський перець
Ukrainian	солодкий перець
Ukrainian	червоний перець
Ukrainian	Стручковий перець звичайний
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

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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Name	Authority	First published in
Capsicum annuum var. glabriusculum	(Dunal) Heiser & Pickersgill	Baileya 19: 156. 1975

Subvarieties (abbr. subvar.) Top

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No subvariety added yet.

Forms (abbr. f.) Top

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No forms added yet.

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

Asia-temperate click to expand
- Arabian Peninsula
  - Oman
- Eastern Asia
  - Kazan-retto
  - Korea
- Middle Asia
  - Kazakhstan
  - Tadzhikistan
  - Turkmenistan
  - Uzbekistan
- Western Asia
  - Turkey

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

Australasia click to expand
- Australia
  - New South Wales
  - Northern Territory
  - Queensland

Europe click to expand
- Eastern Europe
  - South European Russia
- Middle Europe
  - Austria
- Southeastern Europe
  - Bulgaria
  - Greece

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

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

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

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.

Accession	Assembly
Accession	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.

Title

Authors

Publication

Released

IDs

Carotenoid biosynthesis genes LcLCYB, LcLCYE, and LcBCH from wolfberry confer increased carotenoid content and improved salt tolerance in tobacco

Li C, Wang C, Cheng Z, Li Y, Li W

Sci Rep

08-May-2024

PMCID:	PMC11079049
doi:	10.1038/s41598-024-60848-3
PMID:	38719951

Diversity of the Rysto gene conferring resistance to potato virus Y in wild relatives of potato

Paluchowska P, Lim Rossmann S, Lysøe E, Janiszewska M, Michalak K, Heydarnajad Giglou R, Torabi Giglou M, Brurberg MB, Śliwka J, Yin Z

BMC Plant Biol

08-May-2024

PMCID:	PMC11077776
doi:	10.1186/s12870-024-05089-2
PMID:	38714928

Study of medicinal plants used in ethnoveterinary medical system in riverine areas of Punjab, Pakistan

Umair M, Altaf M, Ahsan T, Bussmann RW, Abbasi AM, Gatasheh MK, Elrobh M

J Ethnobiol Ethnomed

07-May-2024

PMCID:	PMC11077875
doi:	10.1186/s13002-024-00686-9
PMID:	38715115

Elucidating the callus-to-shoot-forming mechanism in Capsicum annuum ‘Dempsey’ through comparative transcriptome analyses

Han SY, Park SY, Won KH, Park SI, Park JH, Shim D, Hwang I, Jeong DH, Kim H

BMC Plant Biol

07-May-2024

PMCID:	PMC11075324
doi:	10.1186/s12870-024-05033-4
PMID:	38711041

A chromosome-level haplotype-resolved genome assembly of oriental tobacco budworm (Helicoverpa assulta)

Xu Y, Wang C, Li Z, Zheng X, Kang Z, Lu P, Zhang J, Cao P, Chen Q, Liu X

Sci Data

06-May-2024

PMCID:	PMC11074257
doi:	10.1038/s41597-024-03264-6
PMID:	38710675

Molecular Mechanisms of CBL-CIPK Signaling Pathway in Plant Abiotic Stress Tolerance and Hormone Crosstalk

Kaya C, Uğurlar F, Adamakis ID

Int J Mol Sci

06-May-2024

PMCID:	PMC11084290
doi:	10.3390/ijms25095043
PMID:	38732261

Application of Developmental Regulators for Enhancing Plant Regeneration and Genetic Transformation

Xu P, Zhong Y, Xu A, Liu B, Zhang Y, Zhao A, Yang X, Ming M, Cao F, Fu F

Plants (Basel)

04-May-2024

PMCID:	PMC11085514
doi:	10.3390/plants13091272
PMID:	38732487

Biofortification as a solution for addressing nutrient deficiencies and malnutrition

Naik B, Kumar V, Rizwanuddin S, Mishra S, Kumar V, Saris PE, Khanduri N, Kumar A, Pandey P, Gupta AK, Khan JM, Rustagi S

Heliyon

01-May-2024

PMCID:	PMC11079288
doi:	10.1016/j.heliyon.2024.e30595
PMID:	38726166

Unleashing the promise of emerging nanomaterials as a sustainable platform to mitigate antimicrobial resistance

Rahman S, Sadaf S, Hoque ME, Mishra A, Mubarak NM, Malafaia G, Singh J

RSC Adv

01-May-2024

PMCID:	PMC11062400
doi:	10.1039/d3ra05816f
PMID:	38694553

Changes in the Carotenoids of Zamia dressleri Leaves during Development

Murillo E, Nagy V, Menchaca D, Deli J, Agócs A

Plants (Basel)

30-Apr-2024

PMCID:	PMC11085121
doi:	10.3390/plants13091251
PMID:	38732466

CRISPR/Cas9 based genome editing of Phytoene desaturase (PDS) gene in chilli pepper (Capsicum annuum L.)

Bulle M, Venkatapuram AK, Abbagani S, Kirti PB

J Genet Eng Biotechnol

30-Apr-2024

PMCID:	PMC11070243
doi:	10.1016/j.jgeb.2024.100380
PMID:	38797550

Medicinal ethnoveterinary plants used for treating livestock ailments in the omo-gibe and rift valley basins of Ethiopia

Wendimu A, Bojago E, Abrham Y

BMC Vet Res

30-Apr-2024

PMCID:	PMC11059770
doi:	10.1186/s12917-024-04019-6
PMID:	38689300

Exploring the evolution of CHS gene family in plants

Yang L, Zhang S, Chu D, Wang X

Front Genet

30-Apr-2024

PMCID:	PMC11091334
doi:	10.3389/fgene.2024.1368358
PMID:	38746055

Risk assessment of Retithrips syriacus for the EU

Bragard C, Baptista P, Chatzivassiliou E, Di Serio F, Gonthier P, Jaques Miret JA, Justesen AF, MacLeod A, Magnusson CS, Milonas P, Navas‐Cortes JA, Parnell S, Potting R, Reignault PL, Stefani E, Thulke H, van der Werf W, Yuen J, Zappalà L, Bezerra Lima ÉF, Makowski D, Crotta M, Gobbi A, Golic D, Maiorano A, Mosbach‐Schulz O, Rossi E, Terzidou A, Vicent Civera A

EFSA J

29-Apr-2024

PMCID:	PMC11056851
doi:	10.2903/j.efsa.2024.8741
PMID:	38686341

Pest risk assessment of African Leucinodes species for the European Union

Bragard C, Baptista P, Chatzivassiliou E, Di Serio F, Gonthier P, Jaques Miret JA, Justesen AF, MacLeod A, Magnusson CS, Milonas P, Navas‐Cortes JA, Parnell S, Potting R, Reignault PL, Stefani E, Thulke H, Civera AV, Yuen J, Zappalà L, Mally R, Czwienczek E, Gobbi A, López Mercadal J, Maiorano A, Mosbach‐Schulz O, Pautasso M, Rossi E, Stancanelli G, Tramontini S, Van der Werf W

EFSA J

29-Apr-2024

PMCID:	PMC11056852
doi:	10.2903/j.efsa.2024.8739
PMID:	38686343

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.

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)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyldec-7-enamide	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
Dihydro Homocapsaicin II	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
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
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
1-(1-Butenyl)-2,5-cycloheptadiene	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
Lariciresinol, (+)-	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-methylvalerate	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
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
Oleic acid-d2	13011408	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	284.50	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,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,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-tetraenoate	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
[(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-I(2)-D-glucopyranosyl-I(2)-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
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
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
Dgdg	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
> 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
(+)-Longicyclene	16217633	Click to see CC1(CCCC2(C3C1C4C2(C4C3)C)C)C	204.35	unknown	via CMAUP database
(+)-Longicyclene, >=95.0% (sum of enantiomers, GC)	71311545	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,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene	6432308	Click to see CC1=CC2C(CC1)C(=C)CCC2C(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,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,5R,6R)-10-(hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]dec-9-en-8-one	11425225	Click to see CC1CC(=O)C=C(C12CCC(C2)C(=C)CO)CO	250.33	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
(4R,4aS,6R,8aR)-4,4a-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-1-one	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
(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
1,3,3-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 D	11482218	Click to see CC12CCC(CC1C(C=CC2O)(C)O)C(C)(C)O	254.36	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
CID 16212927	16212927	Click to see CC(C)C1CCC2(C3C1C4C2(C4C3)C)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-(1aalpha,4abeta,8aR*)]-	6432451	Click to see CC1=CCC2(CCCC(C23C1C3)(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
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, 1,2,3,5,6,8a-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
Sesquichamene	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))decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer	87529	Click to see CC(C)C1CCC2(C3C1C2C(=C)CC3)C	204.35	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
(1R,3R,4S,4aR,6R)-6-(3-hydroxyprop-1-en-2-yl)-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-1,3-diol	22215701	Click to see CC1C(CC(C2=CCC(CC12C)C(=C)CO)O)O	252.35	unknown	https://doi.org/10.1021/NP0305472
(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
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
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	11425333	Click to see CC1C(CCC2=CCC(CC12C)C(C)(CO)O)O	254.36	unknown	via CMAUP database
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 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
(1R,3S,4aR,6R,8aS)-8a-methyl-4-methylidene-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1,3,4a-triol	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
(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
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,6Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene	5373727	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
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
(1R,6S)-gamma-himachalene	6428535	Click to see CC1=CC2C(CC1)C(=CCCC2(C)C)C	204.35	unknown	via CMAUP database
(9R,9aR)-3,5,5,9-tetramethyl-1,6,7,8,9,9a-hexahydrobenzo[7]annulene	12993379	Click to see CC1CCCC(C2=CC(=CCC12)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-I+/--L-mannopyranosyl-(1a6)-O-I(2)-D-glucopyranosyl-(1a3)-6-deoxy-I+/--L-mannopyranosyl)oxy]-1-ethenyl-1,5,9,13-tetramethyl-4,8,12-tetradecatrien-1-yl 2-O-I(2)-D-glucopyranosyl-I(2)-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)-4,5-dihydroxy-6-[(2Z,6E,10Z,14S)-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-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	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
(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,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-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol	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
(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 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
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,2R,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	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
(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)-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-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-ol	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
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-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 10908146	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
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
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
1-(1,5-Dimethylhexyl)-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol	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
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
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
(2alpha,3beta,5alpha)-26-(beta-D-Glucopyranosyloxy)-2-hydroxy-22-methoxyfurost-25(27)-en-3-yl O-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside	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
(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 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
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
Timosaponin I2	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
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
[(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
[(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 octadecanoate	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
[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
2-Methyl-hexyl propanoate	14933483	Click to see CCCCC(C)COC(=O)CC	172.26	unknown	via CMAUP database
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 isobutyrate	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
> 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
(3R)-pent-1-en-3-ol	6994331	Click to see CCC(C=C)O	86.13	unknown	via CMAUP database
(R)-(-)-2-Pentanol	7014876	Click to see CCCC(C)O	88.15	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
1-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-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
Quercetin 3-O-rhamnoside	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
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-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	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
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
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-glucoside 7-O-rhamnoside	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
quercetin 3-O-rhamnoside-7-O-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
3-[4-beta-D-Glucopyranosyloxy-5-methoxy-3-[2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethyl]phenyl]	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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Capsicum annuum

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