Cannabis sativa - Unknown
Part: Unknown
Author: Public Domain - WikiMedia

Cannabis sativa - Unknown
Part: Unknown
Author: Public Domain - WikiMedia

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Details Top

Internal ID UUID64400f2d6e78f373342603
Scientific name Cannabis sativa
Authority L.
First published in Sp. Pl. : 1027 (1753)

Description Top

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This is a summary of Cannabis sativa, an annual herbaceous flowering plant indigenous to Eastern Asia. It has been cultivated throughout recorded history for industrial fiber, seed oil, food, recreation, religious and spiritual moods and medicine. It is a short-day flowering plant, with staminate (male) plants usually taller and less robust than pistillate (female or male) plants. The main psychoactive constituent of Cannabis is tetrahydrocannabinol (THC), but the plant is known to contain more than 500 compounds, including 113 cannabinoids. Common uses of Cannabis sativa include hempseed oil, caged-bird feed, recreational, medicinal, and spiritual purposes. It is cultivated in soil, hydroponics, and tissue culture multiplication. There are three main cultivar groups of cannabis that are cultivated today: fibre, seed, and medicinal/recreational.

Synonyms Top

Scientific name Authority First published in
Cannabis americana Pharm. ex Wehmer Pfl.-Stoffe : 157 (1911)
Cannabis chinensis Delile Index Seminum (MPU, Monspeliensis) 1849: 7 (1849)
Cannabis erratica Siev. Neueste Nord. Beytr. Phys. Geogr. Erd- Völkerbeschreib. 7: 174 (1796)
Cannabis foetens Gilib. Exerc. Phyt. 2: 450. 1792
Cannabis generalis E.H.L.Krause Deutschl. Fl. Abbild. , ed. 2, 4: 199 (1905)
Cannabis gigantea Crevost Bull. Écon. Indochine , n.s., 19: 613 (1917)
Cannabis indica Lam. Encycl. 1: 695 (1785)
Cannabis indica f. afghanica (Vavilov) Vavilov Agr. Afghanist. 381 1929
Cannabis indica var. kafiristanica Vavilov Agr. Afghanist. 381 1929
Cannabis intersita Soják Novit. Bot. Delect. Seminum Horti Bot. Univ. Carol. Prag. 1960: 20 (1960)
Cannabis kafiristanica (Vav.) Chrtek Cas. Nár. Mus., Odd. Prír. 150: 22 (1981)
Cannabis lupulus (L.) Scop. Fl. Carniol. , ed. 2, 2: 263 (1772)
Cannabis macrosperma Stokes Bot. Mat. Med. 4: 539 (1812)
Cannabis ruderalis Janisch. Uchen. Zap. Saratovsk. Gosud. Chernyshevskogo Univ. 2(2): 14 (1924)
Cannabis sativa f. afghanica Vavilov Trudy Prikl. Bot. 16(2): 227. 1926
Cannabis sativa f. chinensis (Delile) A.DC. Prodr. 16(1): 31 1869
Cannabis sativa var. gigantea (Delile ex Vilm.) Alef. Landw. Fl. 288 1866
Cannabis sativa var. indica (Lam.) Wehmer Pfl.-Stoffe : 157 (1911)
Cannabis sativa subsp. indica (Lam.) E.Small & Cronquist Taxon 25: 426 (1976)
Cannabis sativa subsp. intersita (Soják) Soják Cas. Nár. Mus., Odd. Prír. 148: 77 (1979 publ. 1980)
Cannabis sativa var. kafiristanica (Vavilov) E.Small & Cronquist Taxon 25: 429 (1976)
Cannabis sativa var. kif A.DC. Prodr. 16(1): 30 1869
Cannabis sativa var. macrosperma (Stokes) Asch. & Graebn. Syn. Mitteleur. Fl. 4: 599 1911
Cannabis sativa var. monoica Hol. Let. Matice Slov. 1(43): 367 1873
Cannabis sativa f. pedemontana A.DC. Prodr. 16(1): 31 1869
Cannabis sativa var. praecox Serebr. Trudy Prikl. Bot. 18(1): 410 1928
Cannabis sativa var. ruderalis Janisch. Uchen. Zap. Saratovsk. Gosud. Chernyshevskogo Univ. 2(2): 14 1924
Cannabis sativa var. ruderalis (Janisch.) S.Z.Liou Fl. Liaoningica 1: 289 (1988)
Cannabis sativa var. spontanea Vavilov Trudy Prikl. Bot. 13(Suppl. 23): 148 1922
Cannabis sativa var. vulgaris Alef. Landw. Fl. 288 1866
Cannabis intersita Soják Novit. Bot. Delect. Seminum Horti Bot. Univ. Carol. Prag. 1960: 20 (1960)
Cannabis sativa var. indica (Lam.) E.Small & Cronquist Taxon 25(4): 426 1976
Polygonum viridiflorum Poir. Encycl. 6: 140 (1804)

Common names Top

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Language Common/alternative name
English marijuana
English hemp
English c. sativa
English indian hemp
Spanish cannabis
Spanish canamon
Spanish canamón
Spanish cañamon
Spanish cánnabis
Spanish cannabis medicinal
Spanish cánnabis sativa
Spanish gañja
Spanish mariguana
Spanish maryjuana
Spanish quif
ab Аныцә
Amharic እጸ ፋርስ
Arabic قنب مزروع
Arabic قنب
Arabic تيل
Arabic عناب
Azerbaijani Əkin çətənəsi
Belarusian канапель
Belarusian канаплі
Belarusian канапля
Belarusian каноп’е
Belarusian пласконне
Belarusian Каноплі пасяўныя
Bulgarian посевен коноп
Bengali গাঁজা
br kanab
Czech konopí seté
Czech marihuana
Czech c. sativa
Danish marihuana
Danish hamp
Danish almindelig hamp
dag vɔɣu
German hanf
German cannabis indica
German indischer hanf
German echter hanf
Greek Κάνναβη sativa
Greek Κάνναβη η ήμερη (cannabis sativa)
Estonian harilik kanep
Basque kanabis
Basque kannabis
Basque kalamu
ext marijuana
Persian شاهدانه ساتیوا
Fulah banngo
Finnish hamput
Finnish hamppu
French chanvre
French cannabis
French chènevis
French amale
French gandia
French zamal
French chanvre cultivé
frr manila
Galician mariguana
Hausa Ƙare aiki
Hebrew קנאביס סאטיבה
Hindi गाँजे का पौधा
hno پنگ
Croatian indijska konoplja
Upper Sorbian dźiwja konop
Hungarian termesztett kender
Hungarian közönséges kender
Armenian Մշակովի կանեփ
Indonesian hennep
Icelandic hampjurt
Italian indica sativa
Japanese カンナビス・サティヴァ
Japanese 大麻草
Japanese
Japanese サティバ種
Japanese 大麻
Japanese アサ
Kabyle tifert
Kannada ಗಾಂಜಾಗಿಡ
Korean 대마
Korean 야마
Korean
Cornish kewargh
li hemp
li hennep
li kennep
li kemp
lij caneva
Lithuanian sėjamoji kanapė
Latvian sējas kaņepe
Marathi गांजा
Malay kanabis
Malay pokok kanabis
Malay pokok marijuana
Malay pokok ganja
Nepali गाँजा
new गजि
Dutch hennep
Dutch hemp
Dutch wietplant
Dutch cannabis ruderalis
Dutch cannabis indica
Punjabi ਭੰਗ
Polish konopie dzikie
Polish konopie indyjskie
Polish konopie przemysłowe
Polish pantagruelion
Polish cannabis ruderalis
Polish cannabis indica
Polish konopie siewne
Punjab پنگ
Punjab بھنگ
Portuguese cannabicultura
Portuguese banza
Romanian canabis
Romanian cannabis sativa ssp. indica
Romanian marihuana
Romanian cânepă indiană
Russian Конопля полезная
Russian Сатива
Russian Конопля обыкновенная
Russian конопля посевная
scn cànapa
Sango bângi
Slovak konope
Slovak konopa siata
Slovenian konoplja
Slovenian konopljina semena
Slovenian indijska konoplja
Slovenian navadna konoplja
Albanian kanabis
Swedish hampa
Telugu గంజాయి
Telugu గంజాయి మొక్క
Thai ต้นกัญชง
Thai กัญชง
Turkish esrar otu
Turkish kubar
Turkish hint keneviri
udm Кенэм
Ukrainian cannabis sativa var. spontanea
Ukrainian коноплі посівні
Ukrainian cannabis indica
Ukrainian коноплі звичайні
Walloon tchedîne
Walloon tchene
xmf რჩქვანელობური კიფი
za daihmaz
Chinese 野麻
Chinese 火麻
Chinese 胡麻
Chinese 大麻
Chinese 火麻仁
Chinese 麻根
Chinese 麻叶
Chinese 线麻
Chinese 大麻叶
Chinese 火麻子
Chinese 野大麻
Chinese 麻皮
Chinese 麻花
Chinese 麻费
Chinese 山丝苗

Subspecies (abbr. subsp./ssp.) Top

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No subspecies added yet.

Varieties (abbr. var.) Top

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No variety added yet.

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

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No germination or propagation data was added yet.

Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native
  • Africa
    • East Tropical Africa
      • Kenya
      • Tanzania
      • Uganda
    • Northeast Tropical Africa
      • Chad
      • Eritrea
      • Ethiopia
      • Sudan
    • Northern Africa
      • Algeria
      • Morocco
    • South Tropical Africa
      • Angola
      • Malawi
      • Mozambique
      • Zambia
      • Zimbabwe
    • Southern Africa
      • Botswana
      • Cape Provinces
      • Free State
      • Kwazulu-Natal
      • Lesotho
      • Northern Provinces
    • West Tropical Africa
      • Benin
      • Gambia
      • Ghana
      • Guinea
      • Senegal
    • West-central Tropical Africa
      • Cameroon
      • Central African Republic
      • Gulf Of Guinea Islands
      • Rwanda
      • Zaïre
    • Western Indian Ocean
      • Mauritius
      • Réunion
  • Asia-temperate
    • Caucasus
      • North Caucasus
      • Transcaucasus
    • China
      • China North-central
      • China South-central
      • China Southeast
      • Hainan
      • Inner Mongolia
      • Tibet
      • Xinjiang
    • Eastern Asia
      • Korea
    • Middle Asia
      • Kazakhstan
      • Kirgizstan
      • Tadzhikistan
      • Turkmenistan
      • Uzbekistan
    • Russian Far East
      • Amur
      • Kamchatka
      • Khabarovsk
      • Magadan
      • Primorye
      • Sakhalin
    • Siberia
      • Altay
      • Buryatiya
      • Chita
      • Irkutsk
      • Krasnoyarsk
      • Tuva
      • West Siberia
      • Yakutskiya
    • Western Asia
      • Afghanistan
      • Cyprus
      • East Aegean Islands
      • Iran
      • Iraq
      • Lebanon-Syria
      • Turkey
  • Asia-tropical
    • Indian Subcontinent
      • Assam
      • Bangladesh
      • East Himalaya
      • India
      • Nepal
      • Pakistan
      • West Himalaya
    • Indo-China
      • Andaman Islands
      • Cambodia
      • Nicobar Nicobar
      • Thailand
      • Vietnam
    • Malesia
      • Jawa
      • Lesser Sunda Islands
  • Europe
    • Eastern Europe
      • Belarus
      • Central European Russia
      • East European Russia
      • Northwest European Russia
      • South European Russia
    • Middle Europe
      • Austria
      • Belgium
      • Czechoslovakia
      • Germany
      • Hungary
      • Poland
      • Switzerland
    • Northern Europe
      • Denmark
      • Finland
      • Norway
      • Sweden
    • Southeastern Europe
      • Albania
      • Bulgaria
      • Greece
      • Italy
      • Romania
      • Sicilia
      • Turkey-in-Europe
      • Yugoslavia
    • Southwestern Europe
      • Corse
      • France
      • Sardegna
      • Spain
  • Northern America
    • Eastern Canada
      • Ontario
      • Québec
    • Mexico
      • Mexico Northwest
    • North-central U.S.A.
      • Illinois
      • Iowa
      • Kansas
      • Minnesota
      • Missouri
      • Nebraska
      • North Dakota
      • Oklahoma
      • South Dakota
      • Wisconsin
    • Northeastern U.S.A.
      • Connecticut
      • Indiana
      • Maine
      • Massachusetts
      • Michigan
      • New Hampshire
      • New Jersey
      • New York
      • Ohio
      • Pennsylvania
      • Rhode Island
      • Vermont
      • West Virginia
    • Northwestern U.S.A.
      • Colorado
      • Idaho
      • Oregon
      • Washington
    • South-central U.S.A.
      • New Mexico
    • Southeastern U.S.A.
      • Alabama
      • Arkansas
      • Delaware
      • Kentucky
      • Maryland
      • Tennessee
      • Virginia
    • Southwestern U.S.A.
      • California
      • Nevada
  • Pacific
    • North-central Pacific
      • Hawaii
    • South-central Pacific
      • Marquesas
      • Society Islands
      • Tuamotu
      • Tubuai Islands
    • Southwestern Pacific
      • Fiji
      • Vanuatu
  • Southern America
    • Caribbean
      • Cuba
      • Dominican Republic
      • Haiti
      • Jamaica
      • Leeward Islands
      • Puerto Rico
      • Trinidad-Tobago
      • Windward Islands
    • Central America
      • Costa Rica
      • Nicaragua
    • Western South America
      • Bolivia
      • Colombia
      • Ecuador
      • Peru

Links to other databases Top

Suggest others/fix!
Database ID/link to page
World Flora Online wfo-0000584001
UNII B5ONF538PB
Florida Plant Atlas 1838
Flora of Alabama 1355
Canadensys 4191
USDA Plants CASA3
Tropicos 21302042
INPN 87788
Flora of Italy 296
KEW urn:lsid:ipni.org:names:306087-2
The Plant List kew-2696480
Open Tree Of Life 84004
Observations.org 6520
NCBI Taxonomy 3483
NBN Atlas NBNSYS0000004692
Nature Serve 2.131607
IPNI 306087-2
iNaturalist 128773
iNaturalist 75997
GBIF 5361880
Freebase /m/03zbj_
WisFlora 2864
EPPO CNISA
EOL 594919
Elurikkus 3369
Calflora (Californian flora) 1471
USDA GRIN 8862
Wikipedia Cannabis_sativa
CMAUP NPO7513

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
Name Level Submitter Released Coverage Size
GCF_029168945.1 ASM2916894v1 Chromosome Kangwon National University 2023-03-14 299.0x 734.59 Mb

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
The complete chloroplast genome sequence of Rhamnella wilsonii Schneid (Rhamnaceae) Wang G, An J, Si J Mitochondrial DNA B Resour 12-Apr-2024
PMCID:PMC11018004
doi:10.1080/23802359.2024.2339492
PMID:38623175
Hemp seeds attenuate loperamide-induced constipation in mice Hua H, Yongtong W, Xufeng D, Fang L, Jing G, Fumao Z, Jie J, Lijiang J Front Microbiol 04-Apr-2024
PMCID:PMC11024439
doi:10.3389/fmicb.2024.1353015
PMID:38638898
Leaf functional traits and resource use strategies facilitate the spread of invasive plant Parthenium hysterophorus across an elevational gradient in western Himalayas Sharma P, Rathee S, Ahmad M, Siddiqui MH, Alamri S, Kaur S, Kohli RK, Singh HP, Batish DR BMC Plant Biol 02-Apr-2024
PMCID:PMC10985864
doi:10.1186/s12870-024-04904-0
PMID:38561674
Author Correction: Investigating how nitrogen nutrition and pruning impacts on CBD and THC concentration and plant biomass of Cannabis sativa Dilena E, Close DC, Hunt I, Garland SM Sci Rep 28-Mar-2024
PMCID:PMC10978995
doi:10.1038/s41598-024-57679-7
PMID:38548841
Cannabidiol exerts multitarget immunomodulatory effects on PBMCs from individuals with psoriasis vulgaris Pagano C, Ciaglia E, Coppola L, Lopardo V, Raimondo A, Giuseppe M, Lembo S, Laezza C, Bifulco M Front Immunol 27-Mar-2024
PMCID:PMC11004238
doi:10.3389/fimmu.2024.1373435
PMID:38601151
In silico genome-wide analysis of homeodomain-leucine zipper transcription factors in Cannabis sativa L Zhang ZP, Wang Z, Lu JX, Yan S, He LQ, Wang PP, Qin C, Ren WC, Xu J, Wu JL, Liu XB, Ma W Heliyon 26-Mar-2024
PMCID:PMC10999869
doi:10.1016/j.heliyon.2024.e28045
PMID:38590863
BnAP2-12 overexpression delays ramie flowering: evidence from AP2/ERF gene expression Zhang X, Peng W, Chen H, Xing H Front Plant Sci 25-Mar-2024
PMCID:PMC10999622
doi:10.3389/fpls.2024.1367837
PMID:38590749
Vegetation–edaphic correlation and importance value index in himalayan ‘ecotone’ temperate conifer forest using the multivariate technique Ali F, Zeb M, Amin M, Rajpar MN, Hidayat S, Khan WR Saudi J Biol Sci 24-Mar-2024
PMCID:PMC11000104
doi:10.1016/j.sjbs.2024.103983
PMID:38590389
Impact of Heavy Metal Pollution in the Environment on the Metabolic Profile of Medicinal Plants and Their Therapeutic Potential Asiminicesei DM, Fertu DI, Gavrilescu M Plants (Basel) 21-Mar-2024
PMCID:PMC10976221
doi:10.3390/plants13060913
PMID:38592933
Skeletons in the closet? Using a bibliometric lens to visualise phytochemical and pharmacological activities linked to Sceletium, a mood enhancer Reddy K, Stafford GI, Makunga NP Front Plant Sci 21-Mar-2024
PMCID:PMC10991851
doi:10.3389/fpls.2024.1268101
PMID:38576783
Agroindustrial By-Products as a Source of Biostimulants Enhancing Responses to Abiotic Stress of Horticultural Crops Zuzunaga-Rosas J, Boscaiu M, Vicente O Int J Mol Sci 20-Mar-2024
PMCID:PMC10970935
doi:10.3390/ijms25063525
PMID:38542496
Chromosome-level genome assembly provides insights into the genome evolution and functional importance of the phenylpropanoid–flavonoid pathway in Thymus mongolicus Dang Z, Xu Y, Zhang X, Mi W, Chi Y, Tian Y, Liu Y, Ren W BMC Genomics 19-Mar-2024
PMCID:PMC10949689
doi:10.1186/s12864-024-10202-8
PMID:38504151
Product labeling accuracy and contamination analysis of commercially available cannabidiol product samples Gidal BE, Vandrey R, Wallin C, Callan S, Sutton A, Saurer TB, Triemstra JL Front Pharmacol 18-Mar-2024
PMCID:PMC10982813
doi:10.3389/fphar.2024.1335441
PMID:38562466
Anti-proliferative and apoptotic effect of cannabinoids on human pancreatic ductal adenocarcinoma xenograft in BALB/c nude mice model Le TQ, Meesiripan N, Sanggrajang S, Suwanpidokkul N, Prayakprom P, Bodhibukkana C, Khaowroongrueng V, Suriyachan K, Thanasitthichai S, Srisubat A, Surawongsin P, Rungsipipat A, Sakarin S, Rattanapinyopituk K Sci Rep 18-Mar-2024
PMCID:PMC10948389
doi:10.1038/s41598-024-55307-y
PMID:38499634
Updating the Knowledge on the Secretory Machinery of Hops (Humulus lupulus L., Cannabaceae) Ramos FP, Iwamoto L, Piva VH, Teixeira SP Plants (Basel) 17-Mar-2024
PMCID:PMC10974171
doi:10.3390/plants13060864
PMID:38592855

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
Isopiperine 1548913 Click to see C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 285.34 unknown via CMAUP database
Neurine 10042 Click to see C[N+](C)(C)C=C.[OH-] 103.16 unknown via CMAUP database
Trigonelline 5570 Click to see C[N+]1=CC=CC(=C1)C(=O)[O-] 137.14 unknown https://doi.org/10.1021/NP50008A001
> Alkaloids and derivatives / Aporphines
Fetidine 442233 Click to see CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)CC6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC 682.80 unknown via CMAUP database
> Alkaloids and derivatives / Lupin alkaloids / Sparteine, lupanine, and related alkaloids
(1S,2S,9S,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one 12310674 Click to see C1CC2C3CC(CN2C(=O)C1)C4CC(CCN4C3)O 264.36 unknown https://doi.org/10.1007/BF01951236
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
https://doi.org/10.1248/CPB.26.3641
https://doi.org/10.1039/P19820001467
https://doi.org/10.1039/P19820001455
https://doi.org/10.1016/J.TET.2011.03.062
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
> 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 https://doi.org/10.1021/NP50008A001
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
2,4-Dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentylbenzoic acid 4486399 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)O 358.50 unknown https://doi.org/10.1016/J.FEBSLET.2007.05.043
https://doi.org/10.1021/NP8002673
https://doi.org/10.1002/ARDP.19582910804
2,4-dihydroxy-3-[[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-6-pentylbenzoic acid 163195652 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC2C(O2)(C)CCC=C(C)C)O 376.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
2,4-dihydroxy-3-[[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-6-pentylbenzoic acid 162915216 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC2C(O2)(C)CCC=C(C)C)O 376.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
2,4-Dihydroxy-3-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-6-pentylbenzoic acid 162915215 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC2C(O2)(C)CCC=C(C)C)O 376.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
3-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-pentylbenzoic acid 3082240 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCC=C(C)C)O 360.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
https://doi.org/10.1016/0031-9422(94)00887-Y
https://doi.org/10.1021/NP8002673
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
4-Hydroxybenzoic acid 135 Click to see C1=CC(=CC=C1C(=O)O)O 138.12 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1093/ACPROF:OSO/9780199662685.003.0001
Cannabidiolic acid 160570 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)O 358.50 unknown https://doi.org/10.1016/J.FEBSLET.2007.05.043
https://doi.org/10.1080/10826079508009265
https://doi.org/10.1074/JBC.271.29.17411
https://doi.org/10.1007/S11101-008-9094-4
https://doi.org/10.1021/NP8002673
https://doi.org/10.1021/NP50008A001
https://doi.org/10.1002/ARDP.19582910804
Cannabidivarinic Acid 59444387 Click to see CCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)O 330.40 unknown https://doi.org/10.1021/NP50008A001
Cannabigerolic acid 6449999 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCC=C(C)C)O 360.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
https://doi.org/10.1021/NP8002673
https://doi.org/10.1080/10826079508009265
https://doi.org/10.1055/S-2008-1075211
https://doi.org/10.1021/NP50008A001
https://doi.org/10.1016/0031-9422(94)00887-Y
https://doi.org/10.1007/S11101-008-9094-4
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
Cannabigerovarinic acid 59444383 Click to see CCCC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCC=C(C)C)O 332.40 unknown https://doi.org/10.1021/NP50008A001
Cannabinerolic acid 9998639 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCC=C(C)C)O 360.50 unknown https://doi.org/10.1016/0031-9422(94)00887-Y
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
Vanillic Acid 8468 Click to see COC1=C(C=CC(=C1)C(=O)O)O 168.15 unknown https://doi.org/10.1021/NP50008A001
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / P-methoxybenzoic acids and derivatives
3-(3,7-Dimethylocta-2,6-dienyl)-2-hydroxy-4-methoxy-6-pentylbenzoic acid 74316571 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCC=C(C)C)OC 374.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
Cannabigerolic acid monomethyl ether 24739091 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCC=C(C)C)OC 374.50 unknown https://doi.org/10.1021/NP50008A001
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Salicylic acid and derivatives
1H-4-Oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid, 1a,2,3,3a,8b,8c-hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-; 1a,2,3,3a,8b,8c-Hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-1H-4-oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid; Cannabicyclolic acid; CBLA 71437560 Click to see CCCCCC1=CC2=C(C3C4C(C3(C)C)CCC4(O2)C)C(=C1C(=O)O)O 358.50 unknown https://doi.org/10.1021/NP50008A001
Cannabichromenic acid, (+)- 3084339 Click to see CCCCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)O)O 358.50 unknown https://doi.org/10.1016/0031-9422(94)00887-Y
https://doi.org/10.1007/S11101-008-9094-4
https://doi.org/10.1021/NP970210Y
https://doi.org/10.1016/S0031-9422(00)84939-0
https://doi.org/10.1021/NP50008A001
Cannabichromevarinic acid 11110322 Click to see CCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)O)O 330.40 unknown https://doi.org/10.1021/NP50008A001
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / p-Hydroxybenzoic acid esters / p-Hydroxybenzoic acid alkyl esters
Methylparaben 7456 Click to see COC(=O)C1=CC=C(C=C1)O 152.15 unknown https://doi.org/10.1093/ACPROF:OSO/9780199662685.003.0001
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
4-Ethylbenzaldehyde 20861 Click to see CCC1=CC=C(C=C1)C=O 134.17 unknown https://doi.org/10.1021/NP50008A001
Benzaldehyde 240 Click to see C1=CC=C(C=C1)C=O 106.12 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
(4-Ethylphenyl)methyl acetate 12732713 Click to see CCC1=CC=C(C=C1)COC(=O)C 178.23 unknown https://doi.org/10.1021/NP50008A001
Benzyl acetate 8785 Click to see CC(=O)OCC1=CC=CC=C1 150.17 unknown https://doi.org/10.1021/NP50008A001
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
5'-Methyl-4-pentylbiphenyl-2,6,2'-triol 91488182 Click to see CCCCCC1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)C)O)O 286.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
Methyleugenol 7127 Click to see COC1=C(C=C(C=C1)CC=C)OC 178.23 unknown https://doi.org/10.1021/NP50008A001
> Benzenoids / Benzene and substituted derivatives / Phenethylamines
Hordenine 68313 Click to see CN(C)CCC1=CC=C(C=C1)O 165.23 unknown https://doi.org/10.1021/NP50008A001
Phenethylamine 1001 Click to see C1=CC=C(C=C1)CCN 121.18 unknown https://doi.org/10.1021/NP50008A001
Tyramine 5610 Click to see C1=CC(=CC=C1CCN)O 137.18 unknown https://doi.org/10.1021/NP50008A001
> 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-Methylphenyl)propan-2-ol 14529 Click to see CC1=CC=C(C=C1)C(C)(C)O 150.22 unknown https://doi.org/10.1021/NP50008A001
2-Methyl-3-phenyl-1-propene 18687 Click to see CC(=C)CC1=CC=CC=C1 132.20 unknown https://doi.org/10.1021/NP50008A001
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 / Phenylpropenes
1-Methyl-4-(prop-1-en-2-yl)benzene 62385 Click to see CC1=CC=C(C=C1)C(=C)C 132.20 unknown https://doi.org/10.1021/NP50008A001
> Benzenoids / Benzene and substituted derivatives / Styrenes
5-[2-(4-Hydroxyphenyl)ethenyl]cyclohexa-1,3-diene-1,3-diol 122177172 Click to see C1C(C=C(C=C1O)O)C=CC2=CC=C(C=C2)O 230.26 unknown https://doi.org/10.1021/NP50031A011
> Benzenoids / Indanes
(3R)-4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one 10105874 Click to see COC1=CC2=C(C(=C1)O)C3(CCC(=O)C=C3)CC2 244.28 unknown https://doi.org/10.1016/0040-4020(76)80149-4
https://doi.org/10.1039/P19820001467
https://doi.org/10.1021/NP50008A001
(3S)-4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one 134714927 Click to see COC1=CC2=C(C(=C1)O)C3(CCC(=O)C=C3)CC2 244.28 unknown https://doi.org/10.1248/CPB.26.3641
4-Hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one 90475437 Click to see COC1=CC2=C(C(=C1)O)C3(CC2)C=CC(=O)C=C3 242.27 unknown https://doi.org/10.1039/P19820001467
https://doi.org/10.1016/J.TET.2011.03.062
6-Hydroxy-4-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one 101802953 Click to see COC1=CC(=CC2=C1C3(CC2)C=CC(=O)C=C3)O 242.27 unknown https://doi.org/10.1016/J.TET.2011.03.062
Cannabispirenone A 182364 Click to see COC1=CC2=C(C(=C1)O)C3(CCC(=O)C=C3)CC2 244.28 unknown https://doi.org/10.1016/0040-4020(76)80149-4
https://doi.org/10.1248/CPB.26.3641
https://doi.org/10.1039/P19820001467
> Benzenoids / Indanes / Indan-1-spirocyclohexanes
2',3'-Dihydrospiro[cyclohexane-1,1'-indene]-5',7'-diol 71333767 Click to see C1CCC2(CC1)CCC3=C2C(=CC(=C3)O)O 218.29 unknown https://doi.org/10.1016/S0031-9422(00)81194-2
4,6-Dimethoxyspiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one 11196250 Click to see COC1=CC2=C(C(=C1)OC)C3(CCC(=O)CC3)CC2 260.33 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
5-Hydroxy-7-methoxyindan-1-spiro cyclohexane 117952695 Click to see COC1=CC(=CC2=C1C3(CCCCC3)CC2)O 232.32 unknown https://doi.org/10.1016/S0031-9422(00)81194-2
7-Hydroxy-5-methoxyindan-1-spiro-cyclohexane 117952889 Click to see COC1=CC2=C(C(=C1)O)C3(CCCCC3)CC2 232.32 unknown https://doi.org/10.1016/S0031-9422(00)81194-2
Acetylcannabispirol 25141336 Click to see CC(=O)OC1CCC2(CC1)CCC3=C2C(=CC(=C3)OC)O 290.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
https://doi.org/10.1248/CPB.26.3641
https://doi.org/10.1021/NP50008A001
Cannabispiran 162936 Click to see COC1=CC2=C(C(=C1)O)C3(CCC(=O)CC3)CC2 246.30 unknown https://doi.org/10.1016/0040-4020(76)80149-4
https://doi.org/10.1248/CPB.26.3641
https://doi.org/10.1039/P19820001467
https://doi.org/10.1016/J.TET.2011.03.062
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
https://doi.org/10.1021/NP50008A001
https://doi.org/10.1039/C39760000580
Cannabispirol 194174 Click to see COC1=CC2=C(C(=C1)O)C3(CCC(CC3)O)CC2 248.32 unknown https://doi.org/10.1007/BF01951236
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
https://doi.org/10.1039/P19820001467
https://doi.org/10.1248/CPB.26.3641
https://doi.org/10.1055/S-2008-1075211
https://doi.org/10.1021/NP50008A001
https://doi.org/10.1039/P19820001455
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
https://doi.org/10.1016/J.TET.2011.03.062
https://doi.org/10.1055/S-0028-1084474
Isocannabispiran 154496776 Click to see COC1=CC(=CC2=C1C3(CCC(=O)CC3)CC2)O 246.30 unknown https://doi.org/10.1007/BF01945080
> Benzenoids / Naphthalenes
1,8-Dimethylnaphthalene 11287 Click to see CC1=C2C(=CC=CC2=CC=C1)C 156.22 unknown via CMAUP database
> Benzenoids / Phenanthrenes and derivatives / Hydrophenanthrenes
4-Hydroxy-2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene 25172437 Click to see COC1=C(C=C2C(=C1)CCC3=CC(=C(C(=C32)O)OC)OC)OC 316.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
4,5-Dihydroxy-2,3,6-trimethoxy-9,10-dihydrophenanthrene 25141334 Click to see COC1=C(C2=C(CCC3=CC(=C(C(=C32)O)OC)OC)C=C1)O 302.32 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
4,7-Dimethoxy-9,10-dihydrophenanthrene-1,2,5-triol 162975796 Click to see COC1=CC2=C(C(=C1)O)C3=C(C=C(C(=C3CC2)O)O)OC 288.29 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
Cannithrene 1 53438738 Click to see COC1=CC2=C(C(=C1)O)C3=C(CC2)C=CC(=C3)O 242.27 unknown https://doi.org/10.1039/P19820001467
https://doi.org/10.1021/NP50008A001
Cannithrene 2 86021565 Click to see COC1=C(C2=C(CCC3=C2C(=CC(=C3)OC)O)C=C1)O 272.29 unknown https://doi.org/10.1039/P19820001467
https://doi.org/10.1039/P19820001455
> Benzenoids / Phenol ethers / Anisoles
Anethole 637563 Click to see CC=CC1=CC=C(C=C1)OC 148.20 unknown https://doi.org/10.1021/NP50008A001
Anethole, (Z)- 1549040 Click to see CC=CC1=CC=C(C=C1)OC 148.20 unknown https://doi.org/10.1021/NP50008A001
Anisole 7519 Click to see COC1=CC=CC=C1 108.14 unknown via CMAUP database
> Benzenoids / Phenols / Benzenediols / Resorcinols
1,3-Benzenediol, 5-chloro-2-[3-(dichloromethylene)hexyl]- 11438296 Click to see CCCC(=C(Cl)Cl)CCC1=C(C=C(C=C1O)Cl)O 309.60 unknown https://doi.org/10.1039/P19820001455
2-[[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-5-pentylbenzene-1,3-diol 163048718 Click to see CCCCCC1=CC(=C(C(=C1)O)CC2C(O2)(C)CCC=C(C)C)O 332.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
2-[[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-5-pentylbenzene-1,3-diol 163048719 Click to see CCCCCC1=CC(=C(C(=C1)O)CC2C(O2)(C)CCC=C(C)C)O 332.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
2-[[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]-5-pentylbenzene-1,3-diol 163048717 Click to see CCCCCC1=CC(=C(C(=C1)O)CC2C(O2)(C)CCC=C(C)C)O 332.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
Olivetol 10377 Click to see CCCCCC1=CC(=CC(=C1)O)O 180.24 unknown https://doi.org/10.1016/0006-2952(87)90505-3
> Benzenoids / Phenols / Benzenetriols and derivatives / Phloroglucinols and derivatives
Phloroglucinol 359 Click to see C1=C(C=C(C=C1O)O)O 126.11 unknown https://doi.org/10.1016/S0031-9422(00)90352-2
> Benzenoids / Phenols / Halophenols / Chlorophenols / M-chlorophenols
3-Chlorophenol 7933 Click to see C1=CC(=CC(=C1)Cl)O 128.55 unknown via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[3-[[2-(4-hydroxyphenyl)ethyl]amino]-3-oxo-1-propenyl]-2-methoxyphenoxy]-, (Z,E)- 78070857 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)OC(=CC3=CC(=C(C=C3)O)OC)C(=O)NCCC4=CC=C(C=C4)O 624.70 unknown https://doi.org/10.1016/0031-9422(94)00773-M
Cannabistilbene II 6439895 Click to see COC1=C(C(=C(C=C1)C=CC2CC(=CC(=C2)OC)O)OC)O 304.34 unknown https://doi.org/10.1021/NP50033A008
Eugenol 3314 Click to see COC1=C(C=CC(=C1)CC=C)O 164.20 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1271/BBB1924.24.667
Isoeugenol 853433 Click to see CC=CC1=CC(=C(C=C1)O)OC 164.20 unknown https://doi.org/10.1021/NP50008A001
Mequinol 9015 Click to see COC1=CC=C(C=C1)O 124.14 unknown via CMAUP database
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/10.1016/S0031-9422(00)98242-6
https://doi.org/10.1016/0091-3057(91)90348-6
Vanillin 1183 Click to see COC1=C(C=CC(=C1)C=O)O 152.15 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons
2-Methylhentriacontane 14923238 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C 450.90 unknown https://doi.org/10.1021/NP50008A001
9-Methyloctacosane 14275210 Click to see CCCCCCCCCCCCCCCCCCCC(C)CCCCCCCC 408.80 unknown https://doi.org/10.1021/NP50008A001
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Decane 15600 Click to see CCCCCCCCCC 142.28 unknown https://doi.org/10.1021/NP50008A001
Docosane 12405 Click to see CCCCCCCCCCCCCCCCCCCCCC 310.60 unknown https://doi.org/10.1021/NP50008A001
Dodecane 8182 Click to see CCCCCCCCCCCC 170.33 unknown https://doi.org/10.1021/NP50008A001
Dotriacontane 11008 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 450.90 unknown https://doi.org/10.1021/NP50008A001
Eicosane 8222 Click to see CCCCCCCCCCCCCCCCCCCC 282.50 unknown https://doi.org/10.1021/NP50008A001
Heneicosane 12403 Click to see CCCCCCCCCCCCCCCCCCCCC 296.60 unknown https://doi.org/10.1021/NP50008A001
Hentriacontane 12410 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 436.80 unknown https://doi.org/10.1021/NP50008A001
Heptacosane 11636 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCC 380.70 unknown https://doi.org/10.1021/NP50008A001
Heptadecane 12398 Click to see CCCCCCCCCCCCCCCCC 240.50 unknown https://doi.org/10.1021/NP50008A001
Heptatriacontane 23598 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 521.00 unknown https://doi.org/10.1021/NP50008A001
Hexacosane 12407 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC 366.70 unknown https://doi.org/10.1021/NP50008A001
Hexadecane 11006 Click to see CCCCCCCCCCCCCCCC 226.44 unknown https://doi.org/10.1021/NP50008A001
Hexatriacontane 12412 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 507.00 unknown https://doi.org/10.1021/NP50008A001
Nonacosane 12409 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 408.80 unknown https://doi.org/10.1021/NP50008A001
Nonadecane 12401 Click to see CCCCCCCCCCCCCCCCCCC 268.50 unknown https://doi.org/10.1021/NP50008A001
Nonane 8141 Click to see CCCCCCCCC 128.25 unknown https://doi.org/10.1021/NP50008A001
Nonatriacontane 114842 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 549.10 unknown https://doi.org/10.1021/NP50008A001
Octacosane 12408 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCC 394.80 unknown https://doi.org/10.1021/NP50008A001
Octadecane 11635 Click to see CCCCCCCCCCCCCCCCCC 254.50 unknown https://doi.org/10.1021/NP50008A001
Octatriacontane 23599 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 535.00 unknown https://doi.org/10.1021/NP50008A001
Pentacosane 12406 Click to see CCCCCCCCCCCCCCCCCCCCCCCCC 352.70 unknown https://doi.org/10.1021/NP50008A001
Pentadecane 12391 Click to see CCCCCCCCCCCCCCC 212.41 unknown https://doi.org/10.1021/NP50008A001
Pentatriacontane 12413 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 492.90 unknown https://doi.org/10.1021/NP50008A001
Tetracosane 12592 Click to see CCCCCCCCCCCCCCCCCCCCCCCC 338.70 unknown https://doi.org/10.1021/NP50008A001
Tetradecane 12389 Click to see CCCCCCCCCCCCCC 198.39 unknown https://doi.org/10.1021/NP50008A001
Tetratriacontane 26519 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 478.90 unknown https://doi.org/10.1021/NP50008A001
Triacontane 12535 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 422.80 unknown https://doi.org/10.1021/NP50008A001
Tricosane 12534 Click to see CCCCCCCCCCCCCCCCCCCCCCC 324.60 unknown https://doi.org/10.1021/NP50008A001
Tridecane 12388 Click to see CCCCCCCCCCCCC 184.36 unknown https://doi.org/10.1021/NP50008A001
Tritriacontane 12411 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 464.90 unknown https://doi.org/10.1021/NP50008A001
Undecane 14257 Click to see CCCCCCCCCCC 156.31 unknown https://doi.org/10.1021/NP50008A001
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
2-Methyldotriacontane 74399 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C 464.90 unknown https://doi.org/10.1021/NP50008A001
2-Methylhexacosane 150931 Click to see CCCCCCCCCCCCCCCCCCCCCCCCC(C)C 380.70 unknown https://doi.org/10.1021/NP50008A001
2-Methyloctacosane 519147 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C 408.80 unknown https://doi.org/10.1021/NP50008A001
2-Methyltetracosane 527459 Click to see CCCCCCCCCCCCCCCCCCCCCCC(C)C 352.70 unknown https://doi.org/10.1021/NP50008A001
3-Methylheneicosane 522120 Click to see CCCCCCCCCCCCCCCCCCC(C)CC 310.60 unknown https://doi.org/10.1021/NP50008A001
3-Methylhentriacontane 521265 Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC 450.90 unknown https://doi.org/10.1021/NP50008A001
3-Methylheptacosane 85690 Click to see CCCCCCCCCCCCCCCCCCCCCCCCC(C)CC 394.80 unknown https://doi.org/10.1021/NP50008A001
3-Methylpentacosane 189001 Click to see CCCCCCCCCCCCCCCCCCCCCCC(C)CC 366.70 unknown https://doi.org/10.1021/NP50008A001
3-Methyltricosane 528561 Click to see CCCCCCCCCCCCCCCCCCCCC(C)CC 338.70 unknown https://doi.org/10.1021/NP50008A001
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
gamma-Terpinene 7461 Click to see CC1=CCC(=CC1)C(C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
> Lignans, neolignans and related compounds
(21S)-22-methyl-22-oxido-15,29,31-trioxa-7-aza-22-azoniaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene-13,27-diol 163187449 Click to see C[N+]1(CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7=NCCC8=CC(=C(O4)C=C87)O3)O)O)[O-] 548.60 unknown https://doi.org/10.1007/S11101-008-9094-4
https://doi.org/10.1021/NP50008A001
2,3-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-N,N'-bis[2-(4-hydroxyphenyl)ethyl]butanediamide 78385686 Click to see COC1=C(C=CC(=C1)C=C(C(=CC2=CC(=C(C=C2)O)OC)C(=O)NCCC3=CC=C(C=C3)O)C(=O)NCCC4=CC=C(C=C4)O)O 624.70 unknown https://doi.org/10.1016/0031-9422(94)00773-M
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-[4-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2-methoxyphenoxy]propanamide 76514173 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)OC(C(C3=CC(=C(C=C3)O)OC)O)C(=O)NCCC4=CC=C(C=C4)O 642.70 unknown https://doi.org/10.1016/0031-9422(94)00773-M
Cannabisin E 71448966 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)OC(C(C3=CC(=C(C=C3)O)OC)O)C(=O)NCCC4=CC=C(C=C4)O 642.70 unknown https://doi.org/10.1016/0031-9422(94)00773-M
Cannabisin G 10438919 Click to see COC1=C(C=CC(=C1)C=C(C(=CC2=CC(=C(C=C2)O)OC)C(=O)NCCC3=CC=C(C=C3)O)C(=O)NCCC4=CC=C(C=C4)O)O 624.70 unknown https://doi.org/10.1016/0031-9422(94)00773-M
> Lignans, neolignans and related compounds / Arylnaphthalene lignans
Cannabisin A 15086398 Click to see C1=CC(=CC=C1CCNC(=O)C2=C(C(=C3C=C(C(=CC3=C2)O)O)C4=CC(=C(C=C4)O)O)C(=O)NCCC5=CC=C(C=C5)O)O 594.60 unknown https://doi.org/10.1016/S0031-9422(00)98242-6
> Lignans, neolignans and related compounds / Aryltetralin lignans
(1R,2S)-1-(3,4-dihydroxyphenyl)-7-hydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydronaphthalene-2,3-dicarboxamide 101631693 Click to see COC1=C(C=C2C(C(C(=CC2=C1)C(=O)NCCC3=CC=C(C=C3)O)C(=O)NCCC4=CC=C(C=C4)O)C5=CC(=C(C=C5)O)O)O 610.70 unknown https://doi.org/10.1016/0031-9422(92)83479-I
1-(3,4-dihydroxyphenyl)-7-hydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6-methoxy-1,2-dihydronaphthalene-2,3-dicarboxamide 78070856 Click to see COC1=C(C=C2C(C(C(=CC2=C1)C(=O)NCCC3=CC=C(C=C3)O)C(=O)NCCC4=CC=C(C=C4)O)C5=CC(=C(C=C5)O)O)O 610.70 unknown https://doi.org/10.1016/0031-9422(92)83479-I
7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-N2,N3-bis(4-hydroxyphenethyl)-6-methoxy-1,2-dihydronaphthalene-2,3-dicarboxamide 73022545 Click to see COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)C(=O)NCCC4=CC=C(C=C4)O)C(=O)NCCC5=CC=C(C=C5)O)O 624.70 unknown https://doi.org/10.1016/0031-9422(92)83479-I
Cannabisin B 101631692 Click to see C1=CC(=CC=C1CCNC(=O)C2C(C3=CC(=C(C=C3C=C2C(=O)NCCC4=CC=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O 596.60 unknown https://doi.org/10.1016/0031-9422(92)83479-I
Cannabisin B 78070855 Click to see C1=CC(=CC=C1CCNC(=O)C2C(C3=CC(=C(C=C3C=C2C(=O)NCCC4=CC=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O 596.60 unknown https://doi.org/10.1016/0031-9422(92)83479-I
Cannabisin D 44584134 Click to see COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)C(=O)NCCC4=CC=C(C=C4)O)C(=O)NCCC5=CC=C(C=C5)O)O 624.70 unknown https://doi.org/10.1016/0031-9422(92)83479-I
Cannabisin-B 71448963 Click to see C1=CC(=CC=C1CCNC(=O)C2C(C3=CC(=C(C=C3C=C2C(=O)NCCC4=CC=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O 596.60 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Eicosanoids / Prostaglandins and related compounds
Methyl 15-hydroxy-9-oxoprosta-5,10,13-trien-1-oate 53393996 Click to see CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)OC)O 348.50 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Hexyl butyrate 17525 Click to see CCCCCCOC(=O)CCC 172.26 unknown https://doi.org/10.1021/NP50008A001
Hexyl hexanoate 22873 Click to see CCCCCCOC(=O)CCCCC 200.32 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Methyl palmitate 8181 Click to see CCCCCCCCCCCCCCCC(=O)OC 270.50 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
(Z)-9,10-dideuteriooctadec-9-enoic acid 13011408 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 284.50 unknown via CMAUP database
9,10,12,13-Tetrahydroxyoctadecanoic acid 92800 Click to see CCCCCC(C(CC(C(CCCCCCCC(=O)O)O)O)O)O 348.50 unknown https://doi.org/10.1021/NP50008A001
Arachidic Acid 10467 Click to see CCCCCCCCCCCCCCCCCCCC(=O)O 312.50 unknown https://doi.org/10.1021/NP50008A001
Arachidonic Acid 444899 Click to see CCCCCC=CCC=CCC=CCC=CCCCC(=O)O 304.50 unknown via CMAUP database
Eicosadienoic acid 6439848 Click to see CCCCCC=CCC=CCCCCCCCCCC(=O)O 308.50 unknown https://doi.org/10.1021/NP50008A001
Eicosenoic acid, (Z)- 46234793 Click to see CCCCCCCCCCCCCCCCCC=CC(=O)O 310.50 unknown via CMAUP database
Elaidic Acid 637517 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown via CMAUP database
Gondoic Acid 5282768 Click to see CCCCCCCCC=CCCCCCCCCCC(=O)O 310.50 unknown via CMAUP database
Icos-2-enoic acid 3035221 Click to see CCCCCCCCCCCCCCCCCC=CC(=O)O 310.50 unknown https://doi.org/10.1021/NP50008A001
Icosa-2,4-dienoic acid 54042050 Click to see CCCCCCCCCCCCCCCC=CC=CC(=O)O 308.50 unknown https://doi.org/10.1021/NP50008A001
Myristic Acid 11005 Click to see CCCCCCCCCCCCCC(=O)O 228.37 unknown https://doi.org/10.1021/NP50008A001
Oleic Acid 445639 Click to see CCCCCCCCC=CCCCCCCCC(=O)O 282.50 unknown https://doi.org/10.1021/NP50008A001
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown https://doi.org/10.1021/NP50008A001
Palmitoleic Acid 445638 Click to see CCCCCCC=CCCCCCCCC(=O)O 254.41 unknown https://doi.org/10.1021/NP50008A001
Stearic Acid 5281 Click to see CCCCCCCCCCCCCCCCCC(=O)O 284.50 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1093/ACPROF:OSO/9780199662685.003.0001
trans-11-Eicosenoic acid 5282769 Click to see CCCCCCCCC=CCCCCCCCCCC(=O)O 310.50 unknown https://doi.org/10.1021/NP50008A001
trans-2-Icosenoic acid 6438157 Click to see CCCCCCCCCCCCCCCCCC=CC(=O)O 310.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Azelaic Acid 2266 Click to see C(CCCC(=O)O)CCCC(=O)O 188.22 unknown https://doi.org/10.1021/NP50008A001
> 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 https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohol esters
Octyl hexanoate 21006 Click to see CCCCCCCCOC(=O)CCCCC 228.37 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1-Octanol 957 Click to see CCCCCCCCO 130.23 unknown https://doi.org/10.1021/NP50008A001
1-Octen-3-OL 18827 Click to see CCCCCC(C=C)O 128.21 unknown https://doi.org/10.1021/NP50008A001
3-Octanol 11527 Click to see CCCCCC(CC)O 130.23 unknown https://doi.org/10.1021/NP50008A001
Nonan-1-ol 8914 Click to see CCCCCCCCCO 144.25 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
Cetyl Alcohol 2682 Click to see CCCCCCCCCCCCCCCCO 242.44 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
Tridecanal 25311 Click to see CCCCCCCCCCCCC=O 198.34 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides
Hexadecanamide 69421 Click to see CCCCCCCCCCCCCCCC(=O)N 255.44 unknown https://doi.org/10.1111/J.2042-7158.1977.TB11266.X
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(12S,13E)-12-hydroxyoctadeca-9,13,15-trienoic acid 162913760 Click to see CCC=CC=CC(CC=CCCCCCCCC(=O)O)O 294.40 unknown https://doi.org/10.1016/J.TET.2011.03.062
(9Z,12S,13E,15Z)-12-hydroxyoctadeca-9,13,15-trienoic acid 102522407 Click to see CCC=CC=CC(CC=CCCCCCCCC(=O)O)O 294.40 unknown https://doi.org/10.1016/J.TET.2011.03.062
(9Z,12Z,14E,16R)-16-hydroxyoctadeca-9,12,14-trienoic acid 51533305 Click to see CCC(C=CC=CCC=CCCCCCCCC(=O)O)O 294.40 unknown https://doi.org/10.1016/J.TET.2011.03.062
16-Hydroxy-9,12,14-octadecatrienoic acid 53922940 Click to see CCC(C=CC=CCC=CCCCCCCCC(=O)O)O 294.40 unknown https://doi.org/10.1016/J.TET.2011.03.062
6,9,12-Octadecatrienoic acid 3453 Click to see CCCCCC=CCC=CCC=CCCCCC(=O)O 278.40 unknown via CMAUP database
gamma-Linolenic acid 5280933 Click to see CCCCCC=CCC=CCC=CCCCCC(=O)O 278.40 unknown via CMAUP database
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown https://doi.org/10.1021/NP50008A001
Linolenic Acid 5280934 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown https://doi.org/10.1021/NP50008A001
Methyl linoleate 5284421 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown https://doi.org/10.1021/NP50008A001
Octadeca-9,12,15-trienoic acid 5282822 Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O 278.40 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
(3R)-5-[(1S,4aS,6R,8aS)-6-bromo-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol 162959704 Click to see CC1(C2CCC(=C)C(C2(CCC1Br)C)CCC(C)(C=C)O)C 369.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4885748/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
https://doi.org/10.1007/BF02118655
7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid 14239484 Click to see CC12CCCC(C1CCC3C2=CCC(C3)(C)C=C)(C)C(=O)O 302.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
3,7,11,15-Tetramethyl-2-hexadecen-1-OL 5366244 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.50 unknown https://doi.org/10.1021/NP50008A001
6,10,14-Trimethylpentadeca-5,9,13-trien-2-one 61206 Click to see CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C 262.40 unknown https://doi.org/10.1021/NP50008A001
Farnesylacetone 1711945 Click to see CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C 262.40 unknown https://doi.org/10.1021/NP50008A001
Phytol 5280435 Click to see CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C 296.50 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
beta-CITRONELLOL, (+/-)- 8842 Click to see CC(CCC=C(C)C)CCO 156.26 unknown https://doi.org/10.1021/NP50008A001
beta-OCIMENE, (3E)- 5281553 Click to see CC(=CCC=C(C)C=C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
beta-Ocimene, (3Z)- 5320250 Click to see CC(=CCC=C(C)C=C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
Geraniol 637566 Click to see CC(=CCCC(=CCO)C)C 154.25 unknown https://doi.org/10.1021/NP50008A001
Geranylacetone 1549778 Click to see CC(=CCCC(=CCCC(=O)C)C)C 194.31 unknown https://doi.org/10.1021/NP50008A001
Linalool, (+/-)- 6549 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown https://doi.org/10.1021/NP50008A001
Myrcene 31253 Click to see CC(=CCCC(=C)C=C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
Neral 643779 Click to see CC(=CCCC(=CC=O)C)C 152.23 unknown https://doi.org/10.1021/NP50008A001
Nerol 643820 Click to see CC(=CCCC(=CCO)C)C 154.25 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
(E)-2-(3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol 160109 Click to see CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O 316.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3165957/
https://doi.org/10.1021/NP8002673
https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
[3-(3,7-Dimethylocta-2,6-dienyl)-4,6-dihydroxy-2-pentylphenyl] acetate 74932475 Click to see CCCCCC1=C(C(=CC(=C1OC(=O)C)O)O)CC=C(C)CCC=C(C)C 374.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)- 521372 Click to see CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O 314.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3165957/
https://doi.org/10.1039/JR9400000649
https://doi.org/10.1021/NP8002673
https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
https://doi.org/10.1016/S0040-4039(00)91014-1
https://doi.org/10.1016/0031-9422(77)80023-X
1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)- 36688143 Click to see CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O 314.50 unknown https://doi.org/10.1016/S0040-4039(00)91014-1
2-(3-Methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-5-propylbenzene-1,3-diol 162843120 Click to see CCCC1=CC(=C(C(=C1)O)C2CC(=CCC2C(=C)C)C)O 286.40 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
2-(3,7-Dimethylocta-2,6-dienyl)-3-ethoxy-5-pentylphenol 163038928 Click to see CCCCCC1=CC(=C(C(=C1)OCC)CC=C(C)CCC=C(C)C)O 344.50 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-5-propylbenzene-1,3-diol 139494850 Click to see CCCC1=CC(=C(C(=C1)O)C2CC(=CCC2C(=C)C)C)O 286.40 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
2-[(1S,6S)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-5-propyl-benzene-1,3-diol 91158 Click to see CCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O 286.40 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
2-[(6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol 9966641 Click to see CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O 314.50 unknown via CMAUP database
2-carboxy-5-hydroxy-6-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenolate 54740359 Click to see CCCCCC1=CC(=C(C(=C1C(=O)O)[O-])C2C=C(CCC2C(=C)C)C)O 357.50 unknown via CMAUP database
4-Acetoxy-2-geranyl-5-hydroxy-3-n-pentylphenol 44139611 Click to see CCCCCC1=C(C(=CC(=C1OC(=O)C)O)O)CC=C(C)CCC=C(C)C 374.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
5-Methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene-1,3-diol 20586765 Click to see CC1=CC(C(CC1)C(=C)C)C2=C(C=C(C=C2O)C)O 258.35 unknown https://doi.org/10.1021/NP50008A001
8,9-Dihydrocannabidiol 11716677 Click to see CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(C)C)C)O 316.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
Cannabidiol 644019 Click to see CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O 314.50 unknown https://doi.org/10.1039/JR9400000649
https://doi.org/10.1248/YAKUSHI1947.118.9_408
https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
https://doi.org/10.1002/JPS.2600610139
https://doi.org/10.1520/JFS11698J
https://doi.org/10.1021/NP200500P
https://doi.org/10.1021/NP8002673
https://doi.org/10.1080/10826079508009265
https://doi.org/10.1021/NP50008A001
https://doi.org/10.1520/JFS14173J
https://doi.org/10.1016/0031-9422(77)80023-X
https://doi.org/10.1007/S11101-008-9094-4
Cannabidiol monomethyl ether 164905 Click to see CCCCCC1=CC(=C(C(=C1)OC)C2C=C(CCC2C(=C)C)C)O 328.50 unknown https://doi.org/10.1021/NP50008A001
Cannabidivarin 11601669 Click to see CCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O 286.40 unknown https://doi.org/10.1520/JFS14173J
https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
https://doi.org/10.1021/NP50008A001
Cannabielsoic acid A 59444405 Click to see CCCCCC1=CC2=C(C3C(CCC(C3O2)(C)O)C(=C)C)C(=C1C(=O)O)O 374.50 unknown https://doi.org/10.1021/NP50008A001
Cannabielsoic acid B 59444401 Click to see CCCCCC1=CC(=C2C3C(CCC(C3OC2=C1C(=O)O)(C)O)C(=C)C)O 374.50 unknown https://doi.org/10.1021/NP50008A001
Cannabielsoin 162113 Click to see CCCCCC1=CC(=C2C3C(CCC(C3OC2=C1)(C)O)C(=C)C)O 330.50 unknown https://doi.org/10.1021/NP50008A001
Cannabigerol 5315659 Click to see CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O 316.50 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
https://doi.org/10.1021/NP200500P
https://doi.org/10.1021/NP8002673
https://doi.org/10.1080/10826079508009265
https://doi.org/10.1055/S-2008-1075211
https://doi.org/10.1021/NP50008A001
https://doi.org/10.1016/0006-2952(87)90505-3
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
https://doi.org/10.1007/S11101-008-9094-4
https://doi.org/10.1021/NP50060A004
Cannabigerovarin 59444407 Click to see CCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O 288.40 unknown https://doi.org/10.1021/NP50008A001
Carvacrol 10364 Click to see CC1=C(C=C(C=C1)C(C)C)O 150.22 unknown https://doi.org/10.1021/NP50008A001
p-CYMENE 7463 Click to see CC1=CC=C(C=C1)C(C)C 134.22 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1039/JR9420000188
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene 6451618 Click to see CC1=CCC2(C1C2)C(C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
(1R)-endo-(+)-Fenchyl alcohol 6997371 Click to see CC1(C2CCC(C2)(C1O)C)C 154.25 unknown https://doi.org/10.1021/NP50008A001
(2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)acetic acid 3439780 Click to see CC1(C2CCC1(C(C2)(CC(=O)O)O)C)C 212.28 unknown https://doi.org/10.1021/NP50008A001
(3R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol 42626428 Click to see CC(C)C12CC1C(=C)C(C2)O 152.23 unknown https://doi.org/10.1021/NP50008A001
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol 64685 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown https://doi.org/10.1021/NP50008A001
3-Carene 26049 Click to see CC1=CCC2C(C1)C2(C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
4,7,7-Trimethylbicyclo[4.1.0]hept-2-ene 530422 Click to see CC1CC2C(C2(C)C)C=C1 136.23 unknown https://doi.org/10.1021/NP50008A001
alpha-Bergamotene, (E)-(-)- 6429302 Click to see CC1=CCC2CC1C2(C)CCC=C(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
alpha-PINENE 6654 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
beta-Pinene 14896 Click to see CC1(C2CCC(=C)C1C2)C 136.23 unknown https://doi.org/10.1021/NP50008A001
Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- 17868 Click to see CC1=CCC2(C1C2)C(C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
Borneol 6552009 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown via CMAUP database
Bornyl acetate 6448 Click to see CC(=O)OC1CC2CCC1(C2(C)C)C 196.29 unknown https://doi.org/10.1021/NP50008A001
Camphene 6616 Click to see CC1(C2CCC(C2)C1=C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
Camphene hydrate 101680 Click to see CC1(C2CCC(C2)C1(C)O)C 154.25 unknown https://doi.org/10.1021/NP50008A001
Camphor 2537 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown https://doi.org/10.1021/NP50008A001
Camphor (synthetic) 159055 Click to see CC1(C2CCC1(C(=O)C2)C)C 152.23 unknown via CMAUP database
Fenchol 15406 Click to see CC1(C2CCC(C2)(C1O)C)C 154.25 unknown https://doi.org/10.1021/NP50008A001
Fenchone 14525 Click to see CC1(C2CCC(C2)(C1=O)C)C 152.23 unknown https://doi.org/10.1021/NP50008A001
Pinocarveol 102667 Click to see CC1(C2CC1C(=C)C(C2)O)C 152.23 unknown https://doi.org/10.1021/NP50008A001
Pinocarvone 121719 Click to see CC1(C2CC1C(=C)C(=O)C2)C 150.22 unknown https://doi.org/10.1021/NP50008A001
Sabinen 18818 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown https://doi.org/10.1021/NP50008A001
trans-Borneol 44630107 Click to see CC1(C2CCC1(C(C2)O)C)C 154.25 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(+)-Menthol 165675 Click to see CC1CCC(C(C1)O)C(C)C 156.26 unknown via CMAUP database
4-Terpineol, (+/-)- 11230 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown https://doi.org/10.1021/NP50008A001
alpha-PHELLANDRENE 7460 Click to see CC1=CCC(C=C1)C(C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
alpha-Terpinene 7462 Click to see CC1=CC=C(CC1)C(C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
Alpha-Terpineol 17100 Click to see CC1=CCC(CC1)C(C)(C)O 154.25 unknown https://doi.org/10.1021/NP50008A001
Beta-Phellandrene 11142 Click to see CC(C)C1CCC(=C)C=C1 136.23 unknown https://doi.org/10.1021/NP50008A001
beta-Terpineol 8748 Click to see CC(=C)C1CCC(CC1)(C)O 154.25 unknown https://doi.org/10.1021/NP50008A001
Carvone, (-)- 439570 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown https://doi.org/10.1055/S-0028-1097617
Carvone, (+)- 16724 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown https://doi.org/10.1021/NP50008A001
Carvone, (+/-)- 7439 Click to see CC1=CCC(CC1=O)C(=C)C 150.22 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1055/S-0028-1097617
Dihydrocarvone 24473 Click to see CC1CCC(CC1=O)C(=C)C 152.23 unknown https://doi.org/10.1021/NP50008A001
Isopulegone 34645 Click to see CC1CCC(C(=O)C1)C(=C)C 152.23 unknown https://doi.org/10.1055/S-0028-1097617
Limonene, (+/-)- 22311 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown https://doi.org/10.1021/NP50008A001
p-MENTH-8-EN-3-ONE, trans- 6432305 Click to see CC1CCC(C(=O)C1)C(=C)C 152.23 unknown https://doi.org/10.1055/S-0028-1097617
Piperitenone 381152 Click to see CC1=CC(=O)C(=C(C)C)CC1 150.22 unknown https://doi.org/10.1021/NP50008A001
Pulegone 442495 Click to see CC1CCC(=C(C)C)C(=O)C1 152.23 unknown https://doi.org/10.1021/NP50008A001
Terpinolene 11463 Click to see CC1=CCC(=C(C)C)CC1 136.23 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Monocyclic monoterpenoids
(1S)-3-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-ol 162972129 Click to see CC1=CCCC(C1)(C(=C)C)O 152.23 unknown https://doi.org/10.1016/S0040-4039(01)96066-6
3-Methyl-1-prop-1-en-2-ylcyclohex-3-en-1-ol 101409170 Click to see CC1=CCCC(C1)(C(=C)C)O 152.23 unknown https://doi.org/10.1016/S0040-4039(01)96066-6
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Prenylated hydroquinones
[2-(3,7-Dimethylocta-2,6-dienyl)-3,6-dihydroxy-5-pentylphenyl] acetate 74932477 Click to see CCCCCC1=CC(=C(C(=C1O)OC(=O)C)CC=C(C)CCC=C(C)C)O 374.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
2-[(2E)-3,7-Dimethyl-2,6-octadienyl]-3-acetoxy-5-pentylhydroquinone 44139615 Click to see CCCCCC1=CC(=C(C(=C1O)OC(=O)C)CC=C(C)CCC=C(C)C)O 374.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Prenylquinones
[2-(3,7-Dimethylocta-2,6-dienyl)-5-hexyl-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate 162903611 Click to see CCCCCCC1=CC(=O)C(=C(C1=O)OC(=O)C)CC=C(C)CCC=C(C)C 386.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
> Lipids and lipid-like molecules / Prenol lipids / Quinone and hydroquinone lipids / Vitamin K compounds
2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone 4812 Click to see CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C 450.70 unknown via CMAUP database
Phytonadione 5284607 Click to see CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C 450.70 unknown https://doi.org/10.1021/NP50008A001
Vitamin K 5280483 Click to see CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C 450.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Curcumene 442360 Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C 202.33 unknown https://doi.org/10.1021/NP50008A001
(-)-beta-Curcumene 14014430 Click to see CC1=CCC(=CC1)C(C)CCC=C(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
(+)-delta-Cadinene 441005 Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
(+)-gamma-Cadinene 6432404 Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
(1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl) 1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 74336896 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC4(CCC(C5C4CCC(=C5)C)C(C)C)C)O 562.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
(1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl) 3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-pentylbenzoate 74336924 Click to see CCCCCC1=CC(=C(C(=C1C(=O)OC2(CCC(C3C2CCC(=C3)C)C(C)C)C)O)CC=C(C)CCC=C(C)C)O 564.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
(1E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene 134687947 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
(1R,2S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene 92042749 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
(1S,5R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene 134779875 Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
(2R)-6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol 6506009 Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O 222.37 unknown https://doi.org/10.1021/NP50008A001
(3E,6E)-12,12,12-trideuterio-3,7-dimethyl-11-(trideuteriomethyl)dodeca-1,3,6,10-tetraene 10330772 Click to see CC(=CCCC(=CCC=C(C)C=C)C)C 210.39 unknown via CMAUP database
(3R,6E)-nerolidol 11241545 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown https://doi.org/10.1021/NP50008A001
(4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one 15847407 Click to see CC1CC(=O)CC(C1(C=CC(C)O)O)(C)C 226.31 unknown https://doi.org/10.1021/NP50008A001
(E,Z)-farnesol 1549109 Click to see CC(=CCCC(=CCCC(=CCO)C)C)C 222.37 unknown https://doi.org/10.1021/NP50008A001
(R)-beta-bisabolene 68128 Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C 204.35 unknown https://doi.org/10.1016/S0021-9673(01)90672-7
https://doi.org/10.1021/NP50008A001
1-Ethenyl-1,2-dimethyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane 5317024 Click to see CC(=C1CCC(C(C1)(C)C(=C)C)(C)C=C)C 218.38 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1016/S0021-9673(01)90672-7
1-Methyl-4-(6-methylhept-6-en-2-yl)cyclohexa-1,4-diene 5316213 Click to see CC1=CCC(=CC1)C(C)CCCC(=C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
1,4,4-Trimethyl-8-methylenecycloundeca-1,5-diene 24798692 Click to see CC1=CCC(C=CCC(=C)CCC1)(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)- 23204 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1039/JR9420000188
1,6-Dimethyl-4-isopropyltetralin 10224 Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 unknown https://doi.org/10.1021/NP50008A001
2-Isopropenyl-1-methyl-4-(1-methylethylidene)-1-vinylcyclohexane 6432312 Click to see CC(=C1CCC(C(C1)C(=C)C)(C)C=C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1016/S0021-9673(01)90672-7
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene 6508206 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1039/JR9420000188
3-[[(3R,3aR,5aR,6R,7R,9aS,9bR)-3-(dimethoxymethyl)-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl]-4-hydroxybenzoic acid 162953640 Click to see CC1CCC2(C3CCC(C3(CCC2C1(C)CC4=C(C=CC(=C4)C(=O)O)O)C)(C)C(OC)OC)C 472.70 unknown https://doi.org/10.1248/YAKUSHI1947.118.9_408
https://doi.org/10.1002/JPS.2600610139
https://doi.org/10.1520/JFS11698J
https://doi.org/10.1021/NP200500P
https://doi.org/10.1021/NP8002673
https://doi.org/10.1080/10826079508009265
https://doi.org/10.1021/NP50008A001
https://doi.org/10.1520/JFS14173J
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3165957/
4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one 440244 Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C 224.30 unknown https://doi.org/10.1016/S0031-9422(00)94468-6
5-Pentyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol 76165994 Click to see CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)CCC=C(C)C)O 384.60 unknown https://doi.org/10.1021/NP200500P
9-Epiblumenol B 14135401 Click to see CC1=CC(=O)CC(C1(CCC(C)O)O)(C)C 226.31 unknown https://doi.org/10.1016/S0031-9422(00)94468-6
alpha-Bisabolol 10586 Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O 222.37 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1016/S0021-9673(01)90672-7
alpha-Cadinyl Cannabigerolate 24862530 Click to see CCCCCC1=CC(=C(C(=C1C(=O)OC2(CCC(C3C2CCC(=C3)C)C(C)C)C)O)CC=C(C)CCC=C(C)C)O 564.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
alpha-Cadinyl delta9-Tetrahydrocannabinolate 24862481 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC4(CCC(C5C4CCC(=C5)C)C(C)C)C)O 562.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
alpha-Cubebene 442359 Click to see CC1CCC(C2C13C2C(=CC3)C)C(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
alpha-Curcumene 92139 Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C 202.33 unknown https://doi.org/10.1021/NP50008A001
Alpha-Farnesene 5281516 Click to see CC(=CCCC(=CCC=C(C)C=C)C)C 204.35 unknown https://doi.org/10.1016/S0021-9673(01)90672-7
alpha-Guaiene 5317844 Click to see CC1CCC(CC2=C1CCC2C)C(=C)C 204.35 unknown via CMAUP database
beta Farnesene 15228937 Click to see CCC(=C)CCC=C(C)CCC=C(C)C 206.37 unknown https://doi.org/10.1021/NP50008A001
beta-Bisabolene 10104370 Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C 204.35 unknown https://doi.org/10.1016/S0021-9673(01)90672-7
https://doi.org/10.1021/NP50008A001
beta-CARYOPHYLLENE OXIDE 1742210 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown https://doi.org/10.1021/NP50008A001
beta-Farnesene 5281517 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown https://doi.org/10.1016/S0021-9673(01)90672-7
beta-Farnesene, (6Z)- 5317319 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
beta-Humulene 5318102 Click to see CC1=CCC(C=CCC(=C)CCC1)(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
beta-Ionone 638014 Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C 192.30 unknown https://doi.org/10.1021/NP50008A001
blumenol B 14135402 Click to see CC1=CC(=O)CC(C1(CCC(C)O)O)(C)C 226.31 unknown https://doi.org/10.1016/S0031-9422(00)94468-6
Cadina-1(10),4-diene 10223 Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
Calamenene 6429077 Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 unknown https://doi.org/10.1021/NP50008A001
Caryophyllene 5281515 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
Caryophyllene epoxide 14350 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1016/S0021-9673(01)90672-7
CID 16396350 16396350 Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
Copaene 19725 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
Corchoionol C 137705650 Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C 224.30 unknown https://doi.org/10.1021/NP50008A001
Epi-beta-Santalene 11106484 Click to see CC(=CCCC1(C2CCC(C2)C1=C)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
Farnesol 3327 Click to see CC(=CCCC(=CCCC(=CCO)C)C)C 222.37 unknown https://doi.org/10.1021/NP50008A001
gamma-Cadinene 15094 Click to see CC1=CC2C(CC1)C(=C)CCC2C(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
Guaiol 227829 Click to see CC1CCC(CC2=C1CCC2C)C(C)(C)O 222.37 unknown https://doi.org/10.1021/NP50008A001
Humulene 5281520 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1016/S0021-9673(01)90672-7
Isocaryophyllene 5281522 Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
Isocaryophyllene oxide 1742211 Click to see CC1(CC2C1CCC3(C(O3)CCC2=C)C)C 220.35 unknown via CMAUP database
Longifolene 289151 Click to see CC1(CCCC2(C3C1C(C2=C)CC3)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
Nerolidol 8888 Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C 222.37 unknown https://doi.org/10.1021/NP50008A001
Sesquicannabigerol 54669855 Click to see CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)CCC=C(C)C)O 384.60 unknown https://doi.org/10.1021/NP200500P
Vomifoliol 5280462 Click to see CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C 224.30 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1016/S0031-9422(00)94468-6
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
Alloaromadendren 91746537 Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C 204.35 unknown https://doi.org/10.1021/NP50008A001
alpha-Gurjunene 15560276 Click to see CC1CCC2C(C2(C)C)C3=C(CCC13)C 204.35 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1016/S0021-9673(01)90672-7
Ledum camphor 22297324 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
(1S,2R,5S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene 442348 Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
1,7-di-epi-alpha-Cedrene 10878276 Click to see CC1CCC2C13CC=C(C(C3)C2(C)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
2-[(2R,8S,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid 14527136 Click to see CC1CCC=C2C1(CC(CC2)C(=C)C(=O)O)C 234.33 unknown via CMAUP database
Tessaric acid 14527134 Click to see CC1CC(=O)C=C2C1(CC(CC2)C(=C)C(=O)O)C 248.32 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
(2R)-alpha,8-Bismethylene-4aalpha-methyl-7alpha,8aalpha-dihydroxydecalin-2alpha-acetic acid 102065497 Click to see CC12CCC(CC1(C(=C)C(CC2)O)O)C(=C)C(=O)O 266.33 unknown via CMAUP database
2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-yl 1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 74336922 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC(C)(C)C4CCC5(CCCC(=C5C4)C)C)O 562.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-yl 3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-pentylbenzoate 74336923 Click to see CCCCCC1=CC(=C(C(=C1C(=O)OC(C)(C)C2CCC3(CCCC(=C3C2)C)C)O)CC=C(C)CCC=C(C)C)O 564.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid 11876195 Click to see CC12CCCC(C1CC(CC2)C(=C)C(=O)O)(C)O 252.35 unknown via CMAUP database
2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-yl (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 24862526 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC(C)(C)C4CCC5(CCCC(=C5C4)C)C)O 562.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
2,4-Dihydroxy-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-6-pentylbenzoic acid 1-methyl-1-[(2R)-4aalpha,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2alpha-yl]ethyl ester 24862527 Click to see CCCCCC1=CC(=C(C(=C1C(=O)OC(C)(C)C2CCC3(CCCC(=C3C2)C)C)O)CC=C(C)CCC=C(C)C)O 564.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
3beta,5alpha-Dihydroxycostic acid 13895638 Click to see CC12CCC(CC1(C(=C)C(CC2)O)O)C(=C)C(=O)O 266.33 unknown via CMAUP database
7-epi-alpha-Selinene 10123 Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
alpha-Selinene 10856614 Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C 204.35 unknown https://doi.org/10.1021/NP50008A001
beta-Selinene 442393 Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 unknown https://doi.org/10.1021/NP50008A001
gamma-EUDESMOL 6432005 Click to see CC1=C2CC(CCC2(CCC1)C)C(C)(C)O 222.37 unknown https://doi.org/10.1021/NP50008A001
Pterodonoic acid 11054003 Click to see CC1=C2CC(CCC2(CCC1=O)C)C(=C)C(=O)O 248.32 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones
2-[(1R,2S,4S,7E,10R,12R,13R,14E,16R)-2,12-dihydroxy-4-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid 101408704 Click to see CC1C=CC2C(O2)(C(CC(OC(=O)C=CCC(CC1O)CC(=O)O)C(C)C(C(=CC=CC(=CC3=COC(=N3)C)C)C)OC)O)C 627.80 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
https://doi.org/10.1248/CPB.26.3641
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Ambrosanolides and secoambrosanolides
(3aR,5R,8aR,9aS)-6-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,8,9,9a-hexahydroazuleno[6,5-b]furan-2,7-dione 163003102 Click to see CC1CC2C(CC3(C1=C(C(=O)C3)O)C)C(=C)C(=O)O2 262.30 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
(1S,2S,5S,6R,7S,10R,12S,14R)-7-hydroxy-5,14-dimethyl-9-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one 163053022 Click to see CC1C2C(CC(=C)C3CC4C(C3C2OC1=O)(O4)C)O 264.32 unknown https://doi.org/10.1039/P19820001467
https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
[(3S,8S,10S)-7-hydroxy-17-[(2S,5R)-2-hydroxy-5-(2-hydroxy-2-methylpropyl)oxolan-3-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 5322043 Click to see CC(=O)OC1CCC2(C(C1(C)C)CC(C3(C2=CCC4C3(CCC4C5CC(OC5O)CC(C)(C)O)C)C)O)C 532.80 unknown via CMAUP database
Epifriedelanol 119242 Click to see CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O 428.70 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1055/S-0028-1097617
https://doi.org/10.1093/ACPROF:OSO/9780199662685.003.0001
Friedelan-3-one 244297 Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C 426.70 unknown https://doi.org/10.1055/S-0028-1097617
Friedelanol 101341 Click to see CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O 428.70 unknown https://doi.org/10.1093/ACPROF:OSO/9780199662685.003.0001
Friedelin 91472 Click to see CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C 426.70 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.1093/ACPROF:OSO/9780199662685.003.0001
https://doi.org/10.1055/S-0028-1097617
Friedelinol 348029 Click to see CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O 428.70 unknown https://doi.org/10.1055/S-0028-1097617
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Tetrahydroxy bile acids, alcohols and derivatives
Castasterone 133534 Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O 464.70 unknown https://doi.org/10.5650/JOS1996.45.871
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Bile acids, alcohols and derivatives / Hydroxy bile acids, alcohols and derivatives / Trihydroxy bile acids, alcohols and derivatives
(3S,5S,8S,9S,10R,13S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 23724583 Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O 448.70 unknown https://doi.org/10.5650/JOS1996.45.871
https://doi.org/10.5650/JOS1996.46.1499
Teasterone 13475125 Click to see CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)O)C)C)O)O 448.70 unknown https://doi.org/10.5650/JOS1996.45.871
https://doi.org/10.5650/JOS1996.46.1499
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
Cholesterol 5997 Click to see CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 386.70 unknown https://doi.org/10.5650/JOS1996.46.1499
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Ergostane steroids / Ergosterols and derivatives
(3S,8S,9S,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-ol 134766514 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 400.70 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.5650/JOS1996.46.1499
(5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 99565629 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CC=C(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 https://doi.org/10.5650/JOS1996.46.1499
https://doi.org/10.1021/NP50008A001
Campest-4-en-3-one 11988279 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C 398.70 unknown https://doi.org/10.1021/NP50008A001
Campestanol 119394 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C 402.70 unknown https://doi.org/10.5650/JOS1996.46.1499
Ergost-4-en-3-one 14537344 Click to see CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C 398.70 unknown https://doi.org/10.5650/JOS1996.47.783
Ergosterol 444679 Click to see CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C 396.60 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroidal alkaloids / Solanidines and derivatives
(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,18S,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosane-7,18-diol 15558969 Click to see CC1CC(C2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)O 415.70 unknown https://doi.org/10.1021/NP50008A001
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
[(2R,3R,4S,5S,6R)-2-[[(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hexadecanoate 163083099 Click to see CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2CCC3(C4CCC5(C(C4C(C=C3C2)O)CCC5C(C)CCC(CC)C(C)C)C)C)CO)O)O 831.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
[(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 acetate 162919488 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C)C(C)C 618.90 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
[2-[[17-(5-ethyl-6-methylheptan-2-yl)-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hexadecanoate 163083098 Click to see CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2CCC3(C4CCC5(C(C4C(C=C3C2)O)CCC5C(C)CCC(CC)C(C)C)C)C)CO)O)O 831.30 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
[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 acetate 162919487 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C)C(C)C 618.90 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
17-(4-Ethyl-1,5-dimethyl-hex-2-enyl)-10,13,14-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one 6479802 Click to see CCC(C=CC(C)C1CCC2(C1(CCC3C2CCC4=CC(=O)CCC34C)C)C)C(C)C 424.70 unknown via CMAUP database
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 6743 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C 416.70 unknown https://doi.org/10.5650/JOS1996.46.1499
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 https://doi.org/10.1021/NP50008A001
https://doi.org/10.5650/JOS1996.46.1499
24-Ethylcholest-5-en-3beta-ol 22012 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown https://doi.org/10.1021/NP50008A001
https://doi.org/10.5650/JOS1996.46.1499
https://doi.org/10.1055/S-0028-1084474
3-epi-beta-Sitosterol 12303645 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 414.70 unknown via CMAUP database
Stigmast-4-en-3-one 5484202 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C 412.70 unknown https://doi.org/10.1021/NP50008A001
Stigmastan-3beta-ol 15559396 Click to see CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C 416.70 unknown https://doi.org/10.5650/JOS1996.46.1499
Stigmasterol 5280794 Click to see CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C 412.70 unknown https://doi.org/10.5650/JOS1996.46.1499
https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
L-Pyroglutamic acid 7405 Click to see C1CC(=O)NC1C(=O)O 129.11 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alanine and derivatives
(2S)-2-(phenylazaniumyl)propanoate 6946449 Click to see CC(C(=O)[O-])[NH2+]C1=CC=CC=C1 165.19 unknown https://doi.org/10.1021/NP50008A001
Alanine 5950 Click to see CC(C(=O)O)N 89.09 unknown https://doi.org/10.1021/NP50008A001
D-alanine 71080 Click to see CC(C(=O)O)N 89.09 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Alpha amino acids / L-alpha-amino acids
Arginine 6322 Click to see C(CC(C(=O)O)N)CN=C(N)N 174.20 unknown https://doi.org/10.1021/NP50008A001
Lysine 5962 Click to see C(CCN)CC(C(=O)O)N 146.19 unknown https://doi.org/10.1021/NP50008A001
Threonine 6288 Click to see CC(C(C(=O)O)N)O 119.12 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
Aspartic Acid 5960 Click to see C(C(C(=O)O)N)C(=O)O 133.10 unknown https://doi.org/10.1021/NP50008A001
D-Aspartic acid 83887 Click to see C(C(C(=O)O)N)C(=O)O 133.10 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Glutamic acid and derivatives
Glutamic Acid 33032 Click to see C(CC(=O)O)C(C(=O)O)N 147.13 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Histidine and derivatives
Histidine 6274 Click to see C1=C(NC=N1)CC(C(=O)O)N 155.15 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Isoleucine and derivatives
l-Isoleucine 6306 Click to see CCC(C)C(C(=O)O)N 131.17 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Leucine and derivatives
Leucine 6106 Click to see CC(C)CC(C(=O)O)N 131.17 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Methionine and derivatives
D-Methionine 84815 Click to see CSCCC(C(=O)O)N 149.21 unknown https://doi.org/10.1021/NP50008A001
Methionine 6137 Click to see CSCCC(C(=O)O)N 149.21 unknown https://doi.org/10.1021/NP50008A001
> 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/NP50008A001
Phenylalanine 6140 Click to see C1=CC=C(C=C1)CC(C(=O)O)N 165.19 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Proline and derivatives
Proline 145742 Click to see C1CC(NC1)C(=O)O 115.13 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Serine and derivatives
Serine 5951 Click to see C(C(C(=O)O)N)O 105.09 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Tyrosine and derivatives
Tyrosine 6057 Click to see C1=CC(=CC=C1CC(C(=O)O)N)O 181.19 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
Valine 6287 Click to see CC(C)C(C(=O)O)N 117.15 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives
D-Cystine 6857538 Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N 240.30 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives / L-cysteine-S-conjugates
Cystine 67678 Click to see C(C(C(=O)O)N)SSCC(C(=O)O)N 240.30 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Hexyl acetate 8908 Click to see CCCCCCOC(=O)C 144.21 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Dicarboxylic acids and derivatives
Malonic acid 867 Click to see C(C(=O)O)C(=O)O 104.06 unknown https://doi.org/10.1021/NP50008A001
Succinic Acid 1110 Click to see C(CC(=O)O)C(=O)O 118.09 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Carboxylic acids and derivatives / Tricarboxylic acids and derivatives
Citric Acid 311 Click to see C(C(=O)O)C(CC(=O)O)(C(=O)O)O 192.12 unknown https://doi.org/10.1021/NP50008A001
Isocitric acid 1198 Click to see C(C(C(C(=O)O)O)C(=O)O)C(=O)O 192.12 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Hydroxy acids and derivatives / Beta hydroxy acids and derivatives
Malic Acid 525 Click to see C(C(C(=O)O)O)C(=O)O 134.09 unknown https://doi.org/10.1021/NP50008A001
> Organic acids and derivatives / Organic sulfuric acids and derivatives / Sulfuric acid esters / Sulfuric acid monoesters
(6-Hydroxy-2-methylheptan-3-yl) hydrogen sulfate 5319969 Click to see CC(C)C(CCC(C)O)OS(=O)(=O)O 226.29 unknown via CMAUP database
> Organic acids and derivatives / Peptidomimetics / Depsipeptides / Cyclic depsipeptides
N-[17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-7,9-dimethyl-1,6-dioxo-4-(9,10,13-trimethyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-6-yl)-4,5-dihydro-3H-[1,4]oxazepino[6,5-a]phenoxazine-12-carboxamide 162816007 Click to see CC1CC(C2N1C(=O)C(NC(=O)C(C(OC(=O)C(N(C(=O)CN(C2=O)C)C)C(C)C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C6=C(C5=N4)C(=O)OCC(N6)C7C(=O)NC(C(=O)N8CC(=O)CC8C(=O)N(CC(=O)N(C(C(=O)N7)C)C)C)C(C)C)C)C(C)C)O 1269.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Alkanolamines / 1,3-aminoalcohols
(13S,17S)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one 159289992 Click to see CCCCCC(C(C1C=CCC2N1CCCNCCCCNC(=O)C2)O)O 381.60 unknown https://doi.org/10.1016/S0040-4039(00)75003-9
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Aralkylamines
1-Phenylethylamine 7408 Click to see CC(C1=CC=CC=C1)N 121.18 unknown https://doi.org/10.1021/NP50008A001
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / 2-arylethylamines
Histamine 774 Click to see C1=C(NC=N1)CCN 111.15 unknown https://doi.org/10.1021/NP50008A001
> Organic nitrogen compounds / Organonitrogen compounds / Amines / Primary amines / Monoalkylamines
Cadaverine 273 Click to see C(CCN)CCN 102.18 unknown https://doi.org/10.1021/NP50008A001
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts
n,n,n-Trimethylethenaminium 10043 Click to see C[N+](C)(C)C=C 86.16 unknown https://doi.org/10.1021/NP50008A001
> Organic nitrogen compounds / Organonitrogen compounds / Quaternary ammonium salts / Cholines
Choline 305 Click to see C[N+](C)(C)CCO 104.17 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organic oxides
beta-Cyclocitral 9895 Click to see CC1=C(C(CCC1)(C)C)C=O 152.23 unknown https://doi.org/10.1021/NP50008A001
Safranal 61041 Click to see CC1=C(C(CC=C1)(C)C)C=O 150.22 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(R)-(-)-2-Butanol 84682 Click to see CCC(C)O 74.12 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
(4R)-6-methoxycyclohexane-1,2,3,4,5-pentol 6708691 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown https://doi.org/10.1021/NP50008A001
1D-1-O-Methyl-myo-inositol 440078 Click to see COC1C(C(C(C(C1O)O)O)O)O 194.18 unknown https://doi.org/10.1021/NP50008A001
Inositol 892 Click to see C1(C(C(C(C(C1O)O)O)O)O)O 180.16 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
beta-Caryophyllene alcohol 61125 Click to see CC1(CC2C1CCC3(CCCC2(C3)O)C)C 222.37 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Amino sugars / Acylaminosugars
N-[(1R,3R,4S,5R,6S)-1,4,5-trihydroxy-3-(hydroxymethyl)-2-oxa-7-azabicyclo[4.1.0]heptan-6-yl]acetamide 56955950 Click to see CC(=O)NC12C(C(C(OC1(N2)O)CO)O)O 234.21 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Cyanogenic glycosides
Linamarin 11128 Click to see CC(C)(C#N)OC1C(C(C(C(O1)CO)O)O)O 247.24 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
Cellobiose 294 Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O 342.30 unknown https://doi.org/10.1021/NP50008A001
Gal(a1-4)a-Ido 131632347 Click to see C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O 342.30 unknown https://doi.org/10.1021/NP50008A001
Sucrose 5988 Click to see C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O 342.30 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides
D-(-)-Fructose 5984 Click to see C(C(C(C(C(=O)CO)O)O)O)O 180.16 unknown https://doi.org/10.1021/NP50008A001
D-Fructose 2723872 Click to see C1C(C(C(C(O1)(CO)O)O)O)O 180.16 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Heptoses
Sedoheptulose 5459879 Click to see C(C(C(C(C(C(=O)CO)O)O)O)O)O 210.18 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal 19233 Click to see CC(C(C(C(C=O)O)O)O)O 164.16 unknown https://doi.org/10.1021/NP50008A001
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal 3037556 Click to see C(C(C(C(C(C=O)O)O)O)O)O 180.16 unknown https://doi.org/10.1021/NP50008A001
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal 161658 Click to see C(C(C(C(C(C=O)O)O)O)O)O 180.16 unknown https://doi.org/10.1021/NP50008A001
beta-D-glucose 64689 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1021/NP50008A001
D-Galactosamine 24154 Click to see C(C1C(C(C(C(O1)O)N)O)O)O 179.17 unknown https://doi.org/10.1021/NP50008A001
D-Galactose 6036 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1021/NP50008A001
D-Glucosamine 439213 Click to see C(C1C(C(C(C(O1)O)N)O)O)O 179.17 unknown https://doi.org/10.1021/NP50008A001
D-Mannose 18950 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1021/NP50008A001
Grape sugar 79025 Click to see C(C1C(C(C(C(O1)O)O)O)O)O 180.16 unknown https://doi.org/10.1021/NP50008A001
L-Rhamnose 25310 Click to see CC1C(C(C(C(O1)O)O)O)O 164.16 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Pentoses
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal 5311110 Click to see C(C(C(C(C=O)O)O)O)O 150.13 unknown https://doi.org/10.1021/NP50008A001
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal 66308 Click to see C(C(C(C(C=O)O)O)O)O 150.13 unknown https://doi.org/10.1021/NP50008A001
[(4R)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium 6427053 Click to see CC1C(CC(O1)C[N+](C)(C)C)O 174.26 unknown via CMAUP database
D-Ribose 10975657 Click to see C1C(C(C(C(O1)O)O)O)O 150.13 unknown https://doi.org/10.1021/NP50008A001
D-Xylose 135191 Click to see C1C(C(C(C(O1)O)O)O)O 150.13 unknown https://doi.org/10.1021/NP50008A001
DL-Xylose 644160 Click to see C(C(C(C(C=O)O)O)O)O 150.13 unknown https://doi.org/10.1021/NP50008A001
L-Arabinose 439195 Click to see C1C(C(C(C(O1)O)O)O)O 150.13 unknown https://doi.org/10.1021/NP50008A001
Muscarine 9308 Click to see CC1C(CC(O1)C[N+](C)(C)C)O 174.26 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
Raffinose 439242 Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O 504.40 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives
D-arabinonic acid 122045 Click to see C(C(C(C(C(=O)O)O)O)O)O 166.13 unknown https://doi.org/10.1021/NP50008A001
Gluconic Acid 10690 Click to see C(C(C(C(C(C(=O)O)O)O)O)O)O 196.16 unknown https://doi.org/10.1021/NP50008A001
Glyceric acid 752 Click to see C(C(C(=O)O)O)O 106.08 unknown https://doi.org/10.1021/NP50008A001
Threonic acid 151152 Click to see C(C(C(C(=O)O)O)O)O 136.10 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar acids and derivatives / Glucuronic acid derivatives
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid 84740 Click to see C(=O)C(C(C(C(C(=O)O)O)O)O)O 194.14 unknown https://doi.org/10.1021/NP50008A001
D-Galacturonic Acid 439215 Click to see C1(C(C(OC(C1O)O)C(=O)O)O)O 194.14 unknown https://doi.org/10.1021/NP50008A001
Glucaric acid 33037 Click to see C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O 210.14 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Sugar alcohols
D-Arabinitol 94154 Click to see C(C(C(C(CO)O)O)O)O 152.15 unknown https://doi.org/10.1021/NP50008A001
Erythritol 222285 Click to see C(C(C(CO)O)O)O 122.12 unknown https://doi.org/10.1021/NP50008A001
Galactitol 11850 Click to see C(C(C(C(C(CO)O)O)O)O)O 182.17 unknown https://doi.org/10.1021/NP50008A001
Glycerin 753 Click to see C(C(CO)O)O 92.09 unknown https://doi.org/10.1021/NP50008A001
Hexitol 453 Click to see C(C(C(C(C(CO)O)O)O)O)O 182.17 unknown https://doi.org/10.1021/NP50008A001
Mannitol 6251 Click to see C(C(C(C(C(CO)O)O)O)O)O 182.17 unknown https://doi.org/10.1021/NP50008A001
Pentitol 827 Click to see C(C(C(C(CO)O)O)O)O 152.15 unknown https://doi.org/10.1021/NP50008A001
Sorbitol 5780 Click to see C(C(C(C(C(CO)O)O)O)O)O 182.17 unknown https://doi.org/10.1021/NP50008A001
Xylitol 6912 Click to see C(C(C(C(CO)O)O)O)O 152.15 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
Valeraldehyde 8063 Click to see CCCCC=O 86.13 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
Decanal 8175 Click to see CCCCCCCCCC=O 156.26 unknown https://doi.org/10.1021/NP50008A001
Dodecanal 8194 Click to see CCCCCCCCCCCC=O 184.32 unknown https://doi.org/10.1021/NP50008A001
Heptanal 8130 Click to see CCCCCCC=O 114.19 unknown https://doi.org/10.1021/NP50008A001
Hexanal 6184 Click to see CCCCCC=O 100.16 unknown https://doi.org/10.1021/NP50008A001
Nonanal 31289 Click to see CCCCCCCCC=O 142.24 unknown https://doi.org/10.1021/NP50008A001
Octanal 454 Click to see CCCCCCCC=O 128.21 unknown https://doi.org/10.1021/NP50008A001
Undecanal 8186 Click to see CCCCCCCCCCC=O 170.29 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Alpha,beta-unsaturated ketones / Enones
3-Decene-5-one 557934 Click to see CCCCCC(=O)C=CCC 154.25 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones
(1R,2S,3R,4S)-3-acetyloxy-11-diazonio-2,4,10-trihydroxy-2-methyl-9-oxo-1-propanoyloxy-3,4-dihydro-1H-benzo[b]fluoren-5-olate 197352 Click to see CCC(=O)OC1C2=C(C(C(C1(C)O)OC(=O)C)O)C3=C(C4=CC=CC(=O)C4=C(C3=C2[N+]#N)O)[O-] 468.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
https://doi.org/10.1055/S-0028-1084474
https://doi.org/10.1039/P19820001467
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4885748/
https://doi.org/10.1007/BF02118655
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
2-Decanone 12741 Click to see CCCCCCCCC(=O)C 156.26 unknown https://doi.org/10.1021/NP50008A001
2-Dodecanone 22556 Click to see CCCCCCCCCCC(=O)C 184.32 unknown https://doi.org/10.1021/NP50008A001
2-Heptanone 8051 Click to see CCCCCC(=O)C 114.19 unknown https://doi.org/10.1021/NP50008A001
2-Pentadecanone 61303 Click to see CCCCCCCCCCCCCC(=O)C 226.40 unknown https://doi.org/10.1021/NP50008A001
2-Undecanone 8163 Click to see CCCCCCCCCC(=O)C 170.29 unknown https://doi.org/10.1021/NP50008A001
3-Octanone 246728 Click to see CCCCCC(=O)CC 128.21 unknown https://doi.org/10.1021/NP50008A001
6-Methyl-5-hepten-2-one 9862 Click to see CC(=CCCC(=O)C)C 126.20 unknown https://doi.org/10.1021/NP50008A001
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones / Beta-hydroxy ketones
Diacetone Alcohol 31256 Click to see CC(=O)CC(C)(C)O 116.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
4-Hydroxy-2-methylacetophenone 70133 Click to see CC1=C(C=CC(=C1)O)C(=O)C 150.17 unknown via CMAUP database
Paeonol 11092 Click to see CC(=O)C1=C(C=C(C=C1)OC)O 166.17 unknown via CMAUP database
> Organoheterocyclic compounds / Benzofurans
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one 27209 Click to see CC1(CCCC2(C1=CC(=O)O2)C)C 180.24 unknown https://doi.org/10.1021/NP50008A001
Dihydroactinidiolide 6432173 Click to see CC1(CCCC2(C1=CC(=O)O2)C)C 180.24 unknown https://doi.org/10.1021/NP50008A001
> Organoheterocyclic compounds / Benzofurans / Dibenzofurans
12-Methyl-8-methylidene-3-pentyl-6,16-dioxatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),2,4,9(14),10,12-hexaene 53309045 Click to see CCCCCC1=CC2=C3C(=C1)OCC(=C)C4=C3C(=C(C=C4)C)O2 306.40 unknown https://doi.org/10.1016/J.TET.2011.03.062
Cannabifuran 9966466 Click to see CCCCCC1=CC(=C2C(=C1)OC3=C(C=CC(=C23)C(C)C)C)O 310.40 unknown https://doi.org/10.1021/NP50008A001
Dehydrocannabifuran 59444381 Click to see CCCCCC1=CC(=C2C(=C1)OC3=C(C=CC(=C23)C(=C)C)C)O 308.40 unknown https://doi.org/10.1055/S-2008-1075211
https://doi.org/10.1021/NP50008A001
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4887452/
https://doi.org/10.1016/S0040-4020(01)91942-8
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans
(2R,3R)-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-3,4-dihydrochromene-3,5-diol 154495909 Click to see CCCCCC1=CC(=C2CC(C(OC2=C1)(C)CCC=C(C)C)O)O 332.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
(2R)-2-[(3R)-3-hydroxy-4-methylpent-4-enyl]-2-methyl-7-pentylchromen-5-ol 162848327 Click to see CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC(C(=C)C)O)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
(2R)-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-3,4-dihydrochromen-5-ol 162940350 Click to see CCCCCC1=CC(=C2CCC(OC2=C1)(C)CCC=C(C)C)O 316.50 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
(2R)-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol 76971722 Click to see CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O 314.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
https://doi.org/10.1007/BF01926461
(2R)-2-methyl-2-(4-methylpent-3-enyl)-7-propylchromen-5-ol 154929891 Click to see CCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O 286.40 unknown https://doi.org/10.1007/BF01926461
(2S,3R)-2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-3,4-dihydrochromene-3,5-diol 162952386 Click to see CCCCCC1=CC(=C2CC(C(OC2=C1)(C)CCC=C(C)C)O)O 332.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
(5R)-6,6-dimethyl-5-(3-oxobutyl)-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-11-carboxylic acid 44139614 Click to see CCCCCC1=CC2=C3C(=COC3=C1C(=O)O)C(C(O2)(C)C)CCC(=O)C 372.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
(S)-2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-1-benzopyran-5-ol 21668219 Click to see CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O 314.50 unknown via CMAUP database
[(2R)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-8-yl] acetate 162952316 Click to see CCCCCC1=CC(=C2C=CC(OC2=C1OC(=O)C)(C)CCC=C(C)C)O 372.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
2-Methyl-2-(3-hydroxy-4-methyl-4-pentenyl)-7-pentyl-2H-1-benzopyran-5-ol 44139613 Click to see CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC(C(=C)C)O)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-8-acetoxy-2H-1-benzopyran-5-ol 44139609 Click to see CCCCCC1=CC(=C2C=CC(OC2=C1OC(=O)C)(C)CCC=C(C)C)O 372.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
2-Methyl-2-(4-methylpent-3-enyl)-7-pentyl-3,4-dihydrochromen-5-ol 9966705 Click to see CCCCCC1=CC(=C2CCC(OC2=C1)(C)CCC=C(C)C)O 316.50 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
2-Methyl-2-(4-methylpent-3-enyl)-7-pentyl-3,4-dihydrochromene-3,5-diol 44139610 Click to see CCCCCC1=CC(=C2CC(C(OC2=C1)(C)CCC=C(C)C)O)O 332.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
6,6-Dimethyl-5-(3-oxobutyl)-10-pentyl-2,7-dioxatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-11-carboxylic acid 74932476 Click to see CCCCCC1=CC2=C3C(=COC3=C1C(=O)O)C(C(O2)(C)C)CCC(=O)C 372.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
Cannabichromenate 54740355 Click to see CCCCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)O)[O-] 357.50 unknown via CMAUP database
Cannabichromene 30219 Click to see CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O 314.50 unknown https://doi.org/10.1248/YAKUSHI1947.118.9_408
https://doi.org/10.1520/JFS11698J
https://doi.org/10.1080/10826079508009265
https://doi.org/10.1021/NP50008A001
https://doi.org/10.1520/JFS14173J
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
https://doi.org/10.1007/BF01926461
https://doi.org/10.1007/S11101-008-9094-4
https://doi.org/10.1021/NP50060A004
Cannabichromevarin 6451726 Click to see CCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O 286.40 unknown https://doi.org/10.1007/BF01926461
https://doi.org/10.1021/NP50008A001
Cannabicoumaronone 625303 Click to see CCCCCC1=CC2=C3C(=C1)OC(C(C3=CO2)CCC(=O)C)(C)C 328.40 unknown https://doi.org/10.1021/NP50008A001
Cannabicyclol 30607 Click to see CCCCCC1=CC(=C2C3C4C(C3(C)C)CCC4(OC2=C1)C)O 314.50 unknown https://doi.org/10.1520/JFS14173J
https://doi.org/10.1021/NP50008A001
Cannabiglendol 156998 Click to see CCCC1=CC(=C2C3CC(CCC3C(C)(C)O)(OC2=C1)C)O 304.40 unknown https://doi.org/10.1021/NP50013A005
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / 2,2-dimethyl-1-benzopyrans
(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 74336892 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC4C(C5CCC4(C5)C)(C)C)O 494.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 74336893 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC4CC5CCC4(C5(C)C)C)O 494.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
(1R,10R,13R,15S)-9,9,13-trimethyl-5-pentyl-8,14-dioxatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-3-ol 122180087 Click to see CCCCCC1=CC(=C2C3C(CCC4(C3O4)C)C(OC2=C1)(C)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(1S,10S,13R,15S)-9,9,13-trimethyl-5-pentyl-8,14-dioxatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-3-ol 163190002 Click to see CCCCCC1=CC(=C2C3C(CCC4(C3O4)C)C(OC2=C1)(C)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(1S,10Z)-2,2,10-trimethyl-6-pentyl-3,9-dioxatricyclo[6.5.2.04,15]pentadeca-4,6,8(15),10-tetraen-14-one 25105401 Click to see CCCCCC1=CC2=C3C(=C1)OC(C(C3=O)CCC=C(O2)C)(C)C 328.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2763336/
(3S)-5-hydroxy-3-[(1R)-1-hydroxy-4-oxopentyl]-2,2-dimethyl-7-pentyl-3H-chromen-4-one 25105341 Click to see CCCCCC1=CC(=C2C(=C1)OC(C(C2=O)C(CCC(=O)C)O)(C)C)O 362.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2763336/
(4-Methyl-1-propan-2-ylcyclohex-3-en-1-yl) 1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 74336895 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC4(CCC(=CC4)C)C(C)C)O 494.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,2-diol 162953051 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1O)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
(6aR,10aR)-9-(acetyloxymethyl)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid 122180088 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)COC(=O)C)C(=C1C(=O)O)O 416.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(6aR,10R,10aR)-6,6-dimethyl-9-methylidene-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,10-diol 122180086 Click to see CCCCCC1=CC(=C2C3C(CCC(=C)C3O)C(OC2=C1)(C)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(6aR,10R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-1,10-diol 102506267 Click to see CCCCCC1=CC(=C2C3C(CC=C(C3O)C)C(OC2=C1)(C)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(6aR,10S,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene-1,10-diol 102506268 Click to see CCCCCC1=CC(=C2C3C(CC=C(C3O)C)C(OC2=C1)(C)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(6aS,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,10-diol 163186274 Click to see CCCCCC1=CC(=C2C3C(CCC(=C3O)C)C(OC2=C1)(C)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(6aS,10aS)-9-(acetyloxymethyl)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid 163097650 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)COC(=O)C)C(=C1C(=O)O)O 416.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(6aS,10R,10aS)-6,6-dimethyl-9-methylidene-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,10-diol 163190825 Click to see CCCCCC1=CC(=C2C3C(CCC(=C)C3O)C(OC2=C1)(C)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(6aS,8R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol 131707153 Click to see CCCCCC1=CC(=C2C3C=C(C(CC3C(OC2=C1)(C)C)O)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
(6aS,9S,10S,10aS)-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,9,10-triol 163187721 Click to see CCCCCC1=CC(=C2C3C(CCC(C3O)(C)O)C(OC2=C1)(C)C)O 348.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 24862528 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC4CC5CCC4(C5(C)C)C)O 494.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
[(1R,2S,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl] (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 162906422 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC4C(C5CCC4(C5)C)(C)C)O 494.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 162889905 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC4(CCC(=CC4)C)C(C)C)O 494.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl 1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 74336894 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC(C)(C)C4CCC(=CC4)C)O 494.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylate 162927868 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC(C)(C)C4CCC(=CC4)C)O 494.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
2,2,10-Trimethyl-6-pentyl-3,9-dioxatricyclo[6.5.2.04,15]pentadeca-4,6,8(15),10-tetraen-14-one 163078175 Click to see CCCCCC1=CC2=C3C(=C1)OC(C(C3=O)CCC=C(O2)C)(C)C 328.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2763336/
5-(5-hydroxy-2,2-dimethyl-4-oxo-7-pentyl-3H-chromen-3-yl)pentane-2,3-dione 162885222 Click to see CCCCCC1=CC(=C2C(=C1)OC(C(C2=O)CCC(=O)C(=O)C)(C)C)O 360.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2763336/
5-[(3R)-5-hydroxy-2,2-dimethyl-4-oxo-7-pentyl-3H-chromen-3-yl]pentane-2,3-dione 25105342 Click to see CCCCCC1=CC(=C2C(=C1)OC(C(C2=O)CCC(=O)C(=O)C)(C)C)O 360.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2763336/
5-hydroxy-3-(1-hydroxy-4-oxopentyl)-2,2-dimethyl-7-pentyl-3H-chromen-4-one 162874467 Click to see CCCCCC1=CC(=C2C(=C1)OC(C(C2=O)C(CCC(=O)C)O)(C)C)O 362.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2763336/
6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol 2978 Click to see CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O 314.50 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3154755/
https://doi.org/10.1021/NP8002673
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
https://doi.org/10.1021/JA01253A008
https://doi.org/10.1111/J.1360-0443.2012.03928.X
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1952348/
https://doi.org/10.1002/HUP.1196
https://doi.org/10.1074/JBC.M403693200
6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,2-diol 162953050 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1O)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
6a,7,8,9,10,10a-Hexahydro-6,6,9-trimethyl-3-pentyl-1,9-epoxy-6H-dibenzo[b,d]pyran 59444393 Click to see CCCCCC1=CC2=C3C4CC(CCC4C(O2)(C)C)(OC3=C1)C 314.50 unknown https://doi.org/10.1021/NP50008A001
8-Hydroxy-delta(9)-tetrahydrocannabinol 169652 Click to see CCCCCC1=CC(=C2C3C=C(C(CC3C(OC2=C1)(C)C)O)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
8alpha-OH-delta9-THC 23620581 Click to see CCCCCC1=CC(=C2C3C=C(C(CC3C(OC2=C1)(C)C)O)C)O 330.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
Ajulemic acid 3083542 Click to see CCCCCCC(C)(C)C1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)C(=O)O)O 400.50 unknown https://doi.org/10.1016/J.LFS.2004.04.010
alpha-Fenchyl delta9-Tetrahydrocannabinolate 24862529 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)OC4C(C5CCC4(C5)C)(C)C)O 494.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
Cannabichromanon 25105340 Click to see CCCCCC1=CC(=C2C(=C1)OC(C(C2=O)CCC(=O)C)(C)C)O 332.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2763336/
Cannabichromanone 186690 Click to see CCCCCC1=CC(=C2C(=C1)OC(C(C2=O)CCC(=O)C)(C)C)O 332.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2763336/
https://doi.org/10.1021/NP50008A001
Cannabiripsol 192007 Click to see CCCCCC1=CC(=C2C3C(CCC(C3O)(C)O)C(OC2=C1)(C)C)O 348.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4880513/
https://doi.org/10.1021/NP50008A001
Cannabitriol 11551959 Click to see CCCCCC1=CC(=C2C(=C1)OC(C3=C2C(C(CC3)(C)O)O)(C)C)O 346.50 unknown https://doi.org/10.1021/NP50008A001
delta-9-Tetrahydrocannabinoic acid a 620758 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)O)O 358.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
https://doi.org/10.1021/NP8002673
delta5-Tetrahydrocannabinol, (1S,3R,4R)- 10313569 Click to see CCCCCC1=CC(=C2C3CC(C=CC3C(OC2=C1)(C)C)C)O 314.50 unknown via CMAUP database
DELTA8-Tetrahydrocannabinol 638026 Click to see CCCCCC1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)C)O 314.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
delta9-TETRAHYDROCANNABINOIC ACID B 46889976 Click to see CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1C(=O)O)(C)C)C)O 358.50 unknown https://doi.org/10.1007/S11101-008-9094-4
delta9-Tetrahydrocannabinolic acid 98523 Click to see CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1C(=O)O)O 358.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
https://doi.org/10.1007/S11101-008-9094-4
https://doi.org/10.1021/NP8002673
Dronabinol 16078 Click to see CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O 314.50 unknown https://doi.org/10.1016/B978-0-12-013320-8.50007-1
https://doi.org/10.1248/YAKUSHI1947.118.9_408
https://doi.org/10.1007/BF02907934
https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
https://doi.org/10.1002/JPS.2600610139
https://doi.org/10.1520/JFS11698J
https://doi.org/10.1021/NP200500P
https://doi.org/10.2307/2446007
https://doi.org/10.1021/NP8002673
https://doi.org/10.1080/10826079508009265
https://doi.org/10.1021/NP50008A001
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
https://doi.org/10.1021/JA01253A008
https://doi.org/10.1248/CPB.48.743
https://doi.org/10.1007/S11101-008-9094-4
https://doi.org/10.1021/NP50060A004
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
Tetrahydrocannabivarin 93147 Click to see CCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O 286.40 unknown https://doi.org/10.1520/JFS14173J
Tetrahydrocannabivarol 34180 Click to see CCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O 286.40 unknown https://doi.org/10.1007/S11101-008-9094-4
> Organoheterocyclic compounds / Benzopyrans / 1-benzopyrans / Dibenzopyrans
[(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl] 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylate 162847257 Click to see CCCCCC1=CC2=C(C3=C(C=CC(=C3)C)C(O2)(C)C)C(=C1C(=O)OC4(CCC(=CC4)C)C(C)C)O 490.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
4-Terpenyl Cannabinolate 24850050 Click to see CCCCCC1=CC2=C(C3=C(C=CC(=C3)C)C(O2)(C)C)C(=C1C(=O)OC4(CCC(=CC4)C)C(C)C)O 490.70 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
6,6-Dimethyl-3-propylbenzo[c]chromen-1-ol 138478339 Click to see CCCC1=CC(=C2C3=CC=CC=C3C(OC2=C1)(C)C)O 268.30 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
8-Hydroxycannabinol 44241652 Click to see CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C(=C3)O)C)(C)C)O 326.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
8-hydroxycannabinolic acid A 44139742 Click to see CCCCCC1=CC2=C(C3=C(C=C(C(=C3)C)O)C(O2)(C)C)C(=C1C(=O)O)O 370.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
Cannabinol 2543 Click to see CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O 310.40 unknown https://doi.org/10.1248/YAKUSHI1947.118.9_408
https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
https://doi.org/10.1002/JPS.2600610139
https://doi.org/10.1520/JFS11698J
https://doi.org/10.1039/JR9310000630
https://doi.org/10.1080/10826079508009265
https://doi.org/10.1021/NP50008A001
https://doi.org/10.1520/JFS14173J
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2866040/
https://doi.org/10.1007/S11101-008-9094-4
Cannabinol methylether 628150 Click to see CCCCCC1=CC2=C(C(=C1)OC)C3=C(C=CC(=C3)C)C(O2)(C)C 324.50 unknown https://doi.org/10.1021/NP50008A001
Cannabinolic acid 3081990 Click to see CCCCCC1=CC2=C(C3=C(C=CC(=C3)C)C(O2)(C)C)C(=C1C(=O)O)O 354.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4883103/
https://doi.org/10.1007/S11101-008-9094-4
https://doi.org/10.1021/NP50008A001
Cannabiorcol 59444404 Click to see CC1=CC2=C(C=C1)C(OC3=CC(=CC(=C32)O)C)(C)C 254.32 unknown https://doi.org/10.1021/NP50008A001
Cannabivarin 622545 Click to see CCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O 282.40 unknown https://doi.org/10.1021/NP50008A001
> Organoheterocyclic compounds / Benzopyrans / 2-benzopyrans
3R,4S-3,8-dimethoxy-3-methylisochromane-4,6-diol 146684159 Click to see CC1(C(C2=C(CO1)C(=CC(=C2)O)OC)O)OC 240.25 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
6,6,9-Trimethyl-3-pentyl-1,2,3,4-tetrahydrobenzo[c]chromen-1-ol 521727 Click to see CCCCCC1CC(C2=C(C1)OC(C3=C2C=C(C=C3)C)(C)C)O 314.50 unknown via CMAUP database
> Organoheterocyclic compounds / Coumarans
2,3-Dihydrobenzofuran 10329 Click to see C1COC2=CC=CC=C21 120.15 unknown via CMAUP database
> Organoheterocyclic compounds / Epoxides
(4E,7E)-1,5,9,9-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene 22559443 Click to see CC1=CCCC2(C(O2)CC(C=CC1)(C)C)C 220.35 unknown https://doi.org/10.1021/NP50008A001
1,5,5,8-Tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene 23274265 Click to see CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C 220.35 unknown https://doi.org/10.1021/NP50008A001
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Pentylfuran 19602 Click to see CCCCCC1=CC=CO1 138.21 unknown via CMAUP database
Perillene 68316 Click to see CC(=CCCC1=COC=C1)C 150.22 unknown https://doi.org/10.1021/NP50008A001
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / 6-aminopurines / 6-alkylaminopurines
(E)-2-methyl-4-[(2-tritio-7H-purin-6-yl)amino]but-2-en-1-ol 10585075 Click to see CC(=CCNC1=NC=NC2=C1NC=N2)CO 221.25 unknown via CMAUP database
trans-Zeatin 449093 Click to see CC(=CCNC1=NC=NC2=C1NC=N2)CO 219.24 unknown https://doi.org/10.1021/NP50008A001
> Organoheterocyclic compounds / Indoles and derivatives / Indolines / 2,3-Cyclopentanoindolines
(7bR,10aR)-2,3,4,7b,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole 10130594 Click to see C1CC2C(C1)N3CCNCC4=C3C2=CC=C4 214.31 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives
Tryptophan 6305 Click to see C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N 204.22 unknown https://doi.org/10.1021/NP50008A001
> Organoheterocyclic compounds / Naphthopyrans / Naphthopyranones
3,4,6-Trihydroxy-5-(1-hydroxypropan-2-yl)-1,12-dimethyl-10-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),12-pentaene-8,11-dione 13894318 Click to see CC1=C2CCC3(C2=C(C(=O)C4=C3C(=C(C(=C4O)C(C)CO)O)O)OC1=O)C 372.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
> Organoheterocyclic compounds / Oxepanes
6-Methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one 61942 Click to see CC(=C1CCC2(C(C1=O)O2)C)C 166.22 unknown https://doi.org/10.1021/NP50008A001
Piperitenone oxide 442497 Click to see CC(=C1CCC2(C(C1=O)O2)C)C 166.22 unknown https://doi.org/10.1021/NP50008A001
Piperitone oxide 92998 Click to see CC(C)C1CCC2(C(C1=O)O2)C 168.23 unknown https://doi.org/10.1021/NP50008A001
> Organoheterocyclic compounds / Piperidines
Piperidine 8082 Click to see C1CCNCC1 85.15 unknown https://doi.org/10.1021/NP50008A001
> Organoheterocyclic compounds / Pyrans
1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,10a-dihydro-4H-benzo[c]chromene-4a-carboxylic acid 3082459 Click to see CCCCCC1=CC(=C2C3C=C(C=CC3C(OC2(C1)C(=O)O)(C)C)C)O 358.50 unknown https://doi.org/10.1007/S11101-008-9094-4
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
1-Methylpyridin-1-ium-3-carboxylate--hydrogen chloride (1/1) 6419886 Click to see C[N+]1=CC=CC(=C1)C(=O)[O-].Cl 173.60 unknown via CMAUP database
> Organoheterocyclic compounds / Pyrroloazepines
Sartorymensin 57407878 Click to see CC(C)C12C3=C(CC(C(=O)N1)N4C2=NC5=CC=CC=C5C4=O)C6=CC=CC=C6N3 384.40 unknown https://doi.org/10.1016/0031-9422(94)00773-M
> Organoheterocyclic compounds / Tetrahydrofurans
Linalyl oxide 22310 Click to see CC1(CCC(O1)C(C)(C)O)C=C 170.25 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/10.1016/S0031-9422(00)98242-6
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/10.1016/S0031-9422(00)98242-6
Grossamide 101262727 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/10.1016/S0031-9422(00)98242-6
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/10.1016/S0031-9422(00)98242-6
trans-scirpusin B 21633205 Click to see C1=CC(=C(C=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O)O 486.50 unknown https://doi.org/10.1111/J.2042-7158.1980.TB12838.X
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Cinnamic acids
Cinnamic acid 444539 Click to see C1=CC=C(C=C1)C=CC(=O)O 148.16 unknown https://doi.org/10.1021/NP50008A001
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives
3-(3,4-Dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide 54408305 Click to see C1=CC(=CC=C1CCNC(=O)C=CC2=CC(=C(C=C2)O)O)O 299.32 unknown https://doi.org/10.1016/S0031-9422(00)98242-6
Cannabisin F 71448967 Click to see COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)OC(=CC3=CC(=C(C=C3)O)OC)C(=O)NCCC4=CC=C(C=C4)O 624.70 unknown https://doi.org/10.1016/0031-9422(94)00773-M
N-Caffeoyltyramine 9994897 Click to see C1=CC(=CC=C1CCNC(=O)C=CC2=CC(=C(C=C2)O)O)O 299.32 unknown https://doi.org/10.1016/S0031-9422(00)98242-6
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 via CMAUP database
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/10.1016/S0031-9422(00)98242-6
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
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/10.1016/S0031-9422(00)98242-6
Paprazine 5372945 Click to see C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O 283.32 unknown https://doi.org/10.1016/S0031-9422(00)98242-6
https://doi.org/10.1016/0091-3057(91)90348-6
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Ferulic acid 445858 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown https://doi.org/10.1021/NP50008A001
p-Coumaric acid 637542 Click to see C1=CC(=CC=C1C=CC(=O)O)O 164.16 unknown https://doi.org/10.1021/NP50008A001
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
Butin 92775 Click to see C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O 272.25 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4886613/
> Phenylpropanoids and polyketides / Flavonoids / Flavones
Apigenin 5280443 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 270.24 unknown via CMAUP database
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 via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavones / 6-prenylated flavones
6-(3,7-Dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one 91544613 Click to see CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)OC)O)C)C 436.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
https://doi.org/10.1039/P19820001467
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4885748/
6-Prenylapigenin 10382485 Click to see CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)C 338.40 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
https://doi.org/10.1055/S-0028-1084474
> Phenylpropanoids and polyketides / Flavonoids / Flavones / 8-prenylated flavones
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one 25141335 Click to see CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)OC)C)C 436.50 unknown https://doi.org/10.1055/S-0028-1084474
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid C-glycosides / Flavonoid 8-C-glycosides
Flavocannabiside 44257930 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)OC5C(C(C(C(O5)CO)O)O)O)O)O 610.50 unknown https://doi.org/10.1002/JPS.2600660947
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 https://doi.org/10.1002/JPS.2600660947
https://doi.org/10.1021/NP50008A001
Vitexin 5280441 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O 432.40 unknown via CMAUP database
Vitexin 2''-O-beta-D-glucoside 5280641 Click to see C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O 594.50 unknown https://doi.org/10.1002/JPS.2600660947
https://doi.org/10.1021/NP50008A001
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
2-[3,4-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one 6324879 Click to see C1=C(C=C(C(=C1O)O)OC2C(C(C(C(O2)CO)O)O)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O 480.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
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/10.1021/NP50008A001
Thalictiin 5464455 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/10.1021/NP50008A001
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 3-O-methylated flavonoids
8-(2,6-Dimethylhepta-1,5-dienyl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one 163092931 Click to see CC(=CCCC(=CC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)OC)C)C 422.50 unknown https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
Chryseriol 5280666 Click to see COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O 300.26 unknown https://doi.org/10.1055/S-0028-1084474
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4888767/
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 6-O-methylated flavonoids
Axillarin 5281603 Click to see COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC(=C(C=C3)O)O)O 346.30 unknown via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
Artemetin 5320351 Click to see COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OC 388.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Macrolactams
(13S,17S)-17-[(1S,2R)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one 118701419 Click to see CCCCCC(C(C1C=CCC2N1CCCNCCCCNC(=O)C2)O)O 381.60 unknown https://doi.org/10.1021/NP50008A001
17-(1,2-Dihydroxyheptyl)-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one 326003 Click to see CCCCCC(C(C1C=CCC2N1CCCNCCCCNC(=O)C2)O)O 381.60 unknown https://doi.org/10.1016/S0040-4039(00)75003-9
> Phenylpropanoids and polyketides / Neoflavonoids / Dalbergiones
9,10-Dihydro-2,3,5,6-tetramethoxyphenanthrene-1,4-dione 129861810 Click to see COC1=C(C2=C(CCC3=C2C(=O)C(=C(C3=O)OC)OC)C=C1)OC 330.30 unknown https://doi.org/10.1007/S10600-010-9721-3
> Phenylpropanoids and polyketides / Phenylpropanoic acids
3-(4-ethylphenyl)propanoic Acid 2064039 Click to see CCC1=CC=C(C=C1)CCC(=O)O 178.23 unknown https://doi.org/10.1021/NP50008A001
3-Phenylpropionic acid 107 Click to see C1=CC=C(C=C1)CCC(=O)O 150.17 unknown https://doi.org/10.1021/NP50008A001
> Phenylpropanoids and polyketides / Stilbenes
Cannabistilbene I 146349 Click to see CC(=CCC1=C(C=CC(=C1)CCC2=CC(=CC(=C2)OC)O)O)C 312.40 unknown https://doi.org/10.1021/NP50033A008
Dihydroresveratrol 185914 Click to see C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O 230.26 unknown https://doi.org/10.1021/NP50031A011
Gigantol 3085362 Click to see COC1=C(C=C(C=C1)CCC2=CC(=CC(=C2)OC)O)O 274.31 unknown https://doi.org/10.1039/P19820001467
https://doi.org/10.1021/NP50008A001
Phenol, 3-[2-(4-hydroxyphenyl)ethyl]-5-methoxy- 10014709 Click to see COC1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)O 244.28 unknown https://doi.org/10.1039/P19820001467
https://doi.org/10.1021/NP50008A001

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