Gossypium hirsutum, also known as upland cotton or Mexican cotton, is the most widely planted species of cotton in the world. It makes up about 90% of global cotton production and 95% of cotton production in the United States. This species is native to Mexico, the West Indies, northern South America, Central America, and possibly tropical Florida. Archeological evidence shows that it has been cultivated since 3,500 BC in the Tehuacan Valley in Mexico. Gossypium hirsutum has different varieties with varying fiber lengths and tolerances to different growing conditions. It is not only used for its fibers, but also for producing cottonseed oil. The Zuni people use it to make ceremonial garments and cords. This species also produces extrafloral nectar. It has several synonyms, including Gossypium barbadense var. marie-galante, Gossypium jamaicense, and Gossypium religiosum.

Synonyms Top

Scientific name	Authority	First published in
Xylon hirsutum	Medik.	Malvenfam. : 43 (1787)
Gossypium barbadense var. marie-galante	(G.Watt) A.Chev.	Rev. Bot. Appl. Agric. Trop. 18: 118 (1938)
Gossypium birkinshawii	G.Watt	Bull. Misc. Inform. Kew 1927: 330 (1927)
Gossypium caespitosum	Tod.	Giorn. Reale Ist. Incoragg. Agric. Sicilia 1(2-3): 64. 1863
Gossypium cavanillesianum	Tod.	Giorn. Reale Ist. Incoragg. Agric. Sicilia , ser. 3, 1: 63 (1863)
Gossypium divaricatum	Raf.	Sylva Tellur. : 17 (1838)
Gossypium harrisii	G.Watt	Bull. Misc. Inform. Kew 1927: 331 (1927)
Gossypium hirsutum var. album	Tod.	Giorn. Reale Ist. Incoragg. Agric. Sicilia , ser. 3, 1: 90 (1863)
Gossypium hirsutum subsp. archetypicum	(Roberty) Roberty	Candollea 13: 61 (1950)
Gossypium hirsutum f. atrocoloratum	Roberty	Candollea 13: 67. 1950
Gossypium hirsutum f. berlandieri	Roberty	Candollea 13: 72. 1950
Gossypium hirsutum f. cavelsenii	Roberty	Candollea 13: 58 (-59). 1952 [10 May 1952]
Gossypium hirsutum f. cearense	(Roberty) Roberty	Candollea 13: 81. 1950
Gossypium hirsutum var. chacoense	(Roberty) Roberty	Candollea 13: 78 (1950)
Gossypium hirsutum var. colombianum	Mauer	Trudy Prikl. Bot. 47: 445 (1930)
Gossypium hirsutum f. gaumeri	Roberty	Candollea 13: 58 (1950)
Gossypium hirsutum f. guatemaltequense	Roberty	Candollea 13: 62 (1950)
Gossypium hirsutum var. macrocarpa	Tod.	Giorn. Reale Ist. Incoragg. Agric. Sicilia , ser. 3, 1: 91 (1863)
Gossypium hirsutum var. marie-galante	(G.Watt) J.B.Hutch. in Hutch.	Evol. Gossypium : 43 (1947)
Gossypium hirsutum var. mexicanum	(Tod.) Roberty	Ann. Mus. Colon. Marseille , sér. 6, 3: 43 (1945)
Gossypium hirsutum f. mustelinum	(Miers) Roberty	Candollea 7 (preprint): 330. 1937
Gossypium hirsutum subsp. mustelinum	(G.Watt) Roberty	Candollea 13: 60 (1950)
Gossypium hirsutum var. nervosum	(G.Watt) Roberty	Candollea 13: 66 (1950)
Gossypium hirsutum var. pellitum	Roberty	Candollea 13: 72 (1950)
Gossypium hirsutum f. pollardii	Roberty	Candollea 13: 77 (1950)
Gossypium hirsutum f. prostratum	(Schumach. & Thonn.) Roberty	Candollea 13: 59 (1950)
Gossypium hirsutum var. uliginosum	Roberty	Candollea 13: 78 (1950)
Gossypium hirsutum var. volubile	(Ram.Goyena) Roberty	Candollea 13: 70 (1950)
Gossypium jamaicense	Macfad.	Fl. Jamaica 1: 73 (1837)
Gossypium janiphifolium	Bello	Anales Soc. Esp. Hist. Nat. 10: 242 (1881)
Gossypium lanceolatum	Tod.	Relaz. Cult. Coton. : 9 (1877)
Gossypium latifolium	Murray	Novi Comment. Soc. Regiae Sci. Gott. 7: 32 (1776)
Gossypium latifolium var. archetypicum	Roberty	Candollea 9: 99 (1942)
Gossypium latifolium f. cearense	Roberty	Candollea 9: 91 (1942)
Gossypium latifolium var. paniculatum	(Blanco) Roberty	Candollea 9: 91. 1942
Gossypium latifolium var. prostratum	(Schumach. & Thonn.) Roberty	Candollea 9: 90 (1942)
Gossypium latifolium f. pseudoracemosum	Roberty	Candollea 9: 91. 1942
Gossypium latifolium var. pseudovolubile	Roberty	Candollea 9: 96 (1942)
Gossypium latifolium var. tricuspidatum	(Lam.) Roberty	Candollea 9: 97. 1942
Gossypium marie-galante	G.Watt	Bull. Misc. Inform. Kew 1927: 344 (1927)
Gossypium mexicanum	Tod.	Index Seminum (PAL, Panormitani) 1867: 20 (1867)
Gossypium nervosum	G.Watt	Bull. Misc. Inform. Kew 1927: 324 (1927)
Gossypium nicaraguense	Ram.Goyena	Fl. Nicarag. 1: 195 (1911)
Gossypium oligospermum	Macfad.	Fl. Jamaica 1: 74 (1837)
Gossypium palmeri	G.Watt	Wild Cult. Cotton : 204 (1907)
Gossypium parvifolium	Nutt. ex Seem.	Fl. Vit. : 22 (1865)
Gossypium prostratum	Thonn.	Beskr. Guin. Pl. : 311 (1827)
Gossypium punctatum	Schumach. & Thonn.	Beskr. Guin. Pl. : 309 (1827)
Gossypium punctatum var. jamaica	G.Watt	Wild Cult. Cotton : 170 (1907)
Gossypium purpurascens	Poir.	Encycl. , Suppl. 2: 369 (1811)
Gossypium religiosum	L.	Syst. Nat. ed. 12 , 2: 642 (1767)
Gossypium rhorii	Tod.	Relaz. Cult. Coton. : 10 (1877)
Gossypium rufum	Scop.	Delic. Fl. Faun. Insubr. 3: 70 (1788)
Gossypium sandvicense	Parl.	Sp. Cotoni : 37 (1866)
Gossypium schottii	G.Watt	Wild Cult. Cotton : 206 (1907)
Gossypium sericatum	Prokh.	Bot. Zhurn. S.S.S.R. 32: 73 (1947)
Gossypium tomentosum	Nutt. ex Seem.	Fl. Vit. : 22 (1865)
Gossypium tridens	O.F.Cook & J.W.Hubb.	J. Washington Acad. Sci. 16: 547 (1926)
Gossypium volubile	Ram.Goyena	Fl. Nicarag. 1: 195 (1911)
Hibiscus deciduus	Kuntze	Revis. Gen. Pl. 1: 68 (1891)
Hibiscus oligospermus	Kuntze	Revis. Gen. Pl. 1: 68 (1891)
Hibiscus purpurascens	Kuntze	Revis. Gen. Pl. 1: 68 (1891)
Gossypium barbadense var. hirsutum	(L.) Triana & Planch.	Ann. Sci. Nat., Bot. IV, 17: 171 1862
Gossypium herbaceum var. hirsutum	(L.) Mast.	Fl. Brit. India 1: 347 1874
Gossypium herbaceum var. religiosum	(L.) Mast.	Fl. Brit. India 1: 347 1847
Gossypium hirsutum f. jamaicense	(Macfad.) Wouters	Publ. Inst. Natl. Étude Agron. Congo Belge, Sér. Sci. 34: 102 1948
Gossypium hirsutum f. mexicanum	(Tod.) Roberty	Candollea 7: 332 1938
Gossypium hirsutum f. palmeri	(G.Watt) Wouters	Publ. Inst. Natl. Étude Agron. Congo Belge, Sér. Sci. 34: 103 1948
Gossypium hirsutum f. punctatum	(Schumach. & Thonn.) Roberty	Candollea 7: 330 1938
Gossypium hirsutum f. schottii	(G.Watt) Wouters	Publ. Inst. Natl. Étude Agron. Congo Belge, Sér. Sci. 34: 103 1948
Gossypium hirsutum subsp. caespitosum	(Tod.) Roberty	Candollea 13: 58 (1950)
Gossypium hirsutum subsp. latifolium	(Murray) Roberty	Candollea 13: 61 1950
Gossypium hirsutum subsp. mexicanum	(Tod.) Mauer	Trudy Sredne-Aziatsk. Gosud. Univ. Lenina 18(7): 22 1950
Gossypium hirsutum subsp. prostratum	(Schumach. & Thonn.) Roberty	Candollea 13: 59 (1950)
Gossypium hirsutum subsp. punctatum	(Schumach. & Thonn.) Mauer	Trudy Sredne-Aziatsk. Gosud. Univ. Lenina 18(7): 22 1950
Gossypium hirsutum var. lanceolatum	(Tod.) Aliotta	Rev. Crit. Gen. Gossypium 80 1903
Gossypium hirsutum var. punctatum	(Schumach.) J.B.Hutch.	Ann. Mus. Colon. Marseille VI, 3: 42 1945
Gossypium hirsutum var. religiosum	(L.) Watt	Wild Cult. Cotton 201 1907
Gossypium hirsutum var. schottii	(G.Watt) Prokh.	Bot. Zhurn. (Moscow & Leningrad) 32: 73 1947
Gossypium jamaicense f. janiphifolium	(Bello) Roberty	Candollea 13: 102 1950
Gossypium jamaicense f. lanceolatum	(Tod.) Roberty	Candollea 13: 101 1950
Gossypium nigrum var. punctatum	(Schumach. & Thonn.) Hook.f. & Webb	Niger Fl. 107 1849
Gossypium peruvianum f. marie-galante	(G.Watt) Roberty	Ann. Mus. Colon. Marseille VI, 3: 42 1945
Gossypium punctatum var. jamaicense	(Macfad.) Watt	Wild Cult. Cotton 170 1907
Gossypium punctatum var. prostratum	(Schumach. & Thonn.) Watt	Wild Cult. Cotton 174 1907
Gossypium purpurascens var. punctatum	(Schumach. & Thonn.) J.R.Harlan	Empire Cotton Growing Conf. 2: 24 1934
Gossypium tricuspidatum var. jamaicense	(Macfad.) Mauer	Orig. Syst. Cotton 315 1954
Gossypium tricuspidatum var. oligospermum	(Macfad.) Mauer	Orig. Syst. Cotton 315 1954
Gossypium barbadense var. hirsutum	(L.) Hook.f. & Benth.	Niger Fl. : 229 (1849)
Xylon religiosum	Moench	Methodus : 616 (1794)
Hibiscus religiosus	Kuntze	Revis. Gen. Pl. 1: 68 (1891)

Common names Top

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Filter by language:

Language	Common/alternative name
English	upland cotton
English	cotton
English	mexican cotton
Spanish	sarobei
Spanish	algodon
Arabic	قطن زغبي
Azerbaijani	adi pambıq kolu
Bambara	kɔɔrinin
Catalan	upland cotton
Czech	bavlník chlupatý
Estonian	harilik puuvillapõõsas
Persian	گازیپیوم
Finnish	teksasinpuuvilla
Finnish	upland-puuvilla
Korean	육지면
Macedonian	обичен памук
Dutch	behaarde katoen
nv	ndikʼąʼ
pap	katuna
Polish	bawełna zwyczajna
Polish	bawełna kosmata
Punjab	میکسیکی کپآ
Russian	хлопчатник обыкновенный
Russian	Хлопчатник обыкновенный
sd	آمريڪي ڪپھه
Ukrainian	Бавовник шорсткий
Chinese	棉花
Chinese	棉花壳
Chinese	高地棉
Chinese	美洲棉
Chinese	美棉
Chinese	大陆棉
Chinese	墨西哥棉
Chinese	陸地棉
Chinese	陆地棉（棉）
Chinese	陆地棉
Chinese	棉花油
Chinese	棉花根
Chinese	棉花子

Subspecies (abbr. subsp./ssp.) Top

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Varieties (abbr. var.) Top

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Name	Authority	First published in
Gossypium hirsutum var. taitense	(Parl.) Roberty	Candollea 13: 66. 1952 (1952)

Subvarieties (abbr. subvar.) Top

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Forms (abbr. f.) Top

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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 click to expand
- East Tropical Africa
  - Kenya
  - Tanzania
- Macaronesia
  - Cape Verde
- Northeast Tropical Africa
  - Chad
  - Ethiopia
  - Sudan
- South Tropical Africa
  - Angola
- West Tropical Africa
  - Benin
  - Burkina
  - Gambia
  - Ghana
  - Guinea-Bissau
  - Mali
  - Niger
  - Nigeria
  - Sierra Leone
  - Togo
- West-central Tropical Africa
  - Cameroon
  - Central African Republic
  - Gulf Of Guinea Islands
  - Zaïre
- Western Indian Ocean
  - Aldabra
  - Chagos Archipelago
  - Comoros
  - Seychelles

Asia-temperate click to expand
- Arabian Peninsula
  - Oman
  - Saudi Arabia
- China
  - China South-central
  - China Southeast
- Middle Asia
  - Kazakhstan
  - Tadzhikistan
  - Uzbekistan
- Western Asia
  - Iraq

Asia-tropical click to expand
- Indian Subcontinent
  - Bangladesh
  - East Himalaya
  - Nepal
  - Pakistan
  - Sri Lanka
- Indo-China
  - Andaman Islands
  - Nicobar Nicobar
  - Thailand
  - Vietnam

Europe click to expand
- Southeastern Europe
  - Bulgaria
  - Greece
  - Italy
  - Kriti
  - Romania

Northern America click to expand
- Mexico
  - Mexican Pacific Islands
  - Mexico Central
  - Mexico Gulf
  - Mexico Northeast
  - Mexico Northwest
  - Mexico Southeast
  - Mexico Southwest
- North-central U.S.A.
  - Illinois
  - Missouri
  - Oklahoma
- Northeastern U.S.A.
  - Massachusetts
  - New York
- South-central U.S.A.
  - New Mexico
  - Texas
- Southeastern U.S.A.
  - Alabama
  - Florida
  - Georgia
  - Louisiana
  - Maryland
  - Mississippi
  - North Carolina
  - South Carolina
  - Virginia

Pacific click to expand
- North-central Pacific
  - Hawaii
- Northwestern Pacific
  - Marianas
- South-central Pacific
  - Marquesas
  - Society Islands
  - Tuamotu
- Southwestern Pacific
  - Fiji
  - New Caledonia
  - Samoa
  - Vanuatu

Southern America click to expand
- Brazil
  - Brazil North
  - Brazil Northeast
  - Brazil South
  - Brazil Southeast
  - Brazil West-central
- Caribbean
  - Aruba
  - Bahamas
  - Cuba
  - Dominican Republic
  - Haiti
  - Jamaica
  - Leeward Islands
  - Netherlands Antilles
  - Puerto Rico
  - Southwest Caribbean
  - Trinidad-Tobago
  - Turks-caicos Islands
  - Venezuelan Antilles
  - Windward Islands
- Central America
  - Belize
  - Costa Rica
  - El Salvador
  - Guatemala
  - Honduras
  - Nicaragua
- Northern South America
  - French Guiana
  - Guyana
  - Suriname
  - Venezuela
- Western South America
  - Colombia
  - Ecuador

Links to other databases Top

Suggest others/fix!

Database	ID/link to page
World Flora Online	wfo-0000707931
UNII	0Z88765ZGC
Florida Plant Atlas	1379
Flora of Alabama	2612
USDA Plants	GOHI
Tropicos	19600941
INPN	447303
Flora of Italy	3134
KEW	urn:lsid:ipni.org:names:30042843-2
The Plant List	kew-2831092
PFAF	Gossypium hirsutum
Open Tree Of Life	854480
Observations.org	128091
NCBI Taxonomy	3635
NBN Atlas	NBNSYS0200002260
Nature Serve	2.147855
IUCN Red List	71774532
IPNI	30042843-2
iNaturalist	77299
GBIF	3152661
Freebase	/m/02q0glw
EPPO	GOSHI
EOL	584705
Calflora (Californian flora)	8646
USDA GRIN	17917
Wikipedia	Gossypium_hirsutum

Genomes (via NCBI) Top

Below is displayed the reference genome only!
If you wish to browse all genomes for this plant click here.

Accession	Assembly
Accession	Name	Level	Submitter	Released	Coverage	Size
GCF_007990345.1	Gossypium_hirsutum_v2.1	Chromosome	HudsonAlpha Genome Sequencing Center	2021-02-25	94.1x	2.15 Gb

Scientific Literature Top

Below are displayed the latest 15 articles published in PMC (PubMed Central®) and other sources (DOI number only)!
If you wish to see all the related articles click here.

Title

Authors

Publication

Released

IDs

Comparative transcriptomic analysis provides insights into the genetic networks regulating oil differential production in oil crops

Chen J, Hu Y, Zhao T, Huang C, Chen J, He L, Dai F, Chen S, Wang L, Jin S, Zhang T

BMC Biol

13-May-2024

PMCID:	PMC11089805
doi:	10.1186/s12915-024-01909-x
PMID:	38735918

Genome-wide expression analysis of LACS gene family implies GhLACS25 functional responding to salt stress in cotton

Xu Y, Fu S, Huang Y, Zhou D, Wu Y, Peng J, Kuang M

BMC Plant Biol

13-May-2024

PMCID:	PMC11089787
doi:	10.1186/s12870-024-05045-0
PMID:	38735932

Transcriptome dynamics of Gossypium purpurascens in response to abiotic stresses by Iso-seq and RNA-seq data

Rehman A, Tian C, He S, Li H, Lu S, Du X, Peng Z

Sci Data

09-May-2024

PMCID:	PMC11081948
doi:	10.1038/s41597-024-03334-9
PMID:	38724643

The Efficacy of Entomopathogenic Nematodes Plus an Adjuvant against Helicoverpa zea and Chrysodeixis includens in Aboveground Applications

Zhang M, Spaulding N, Reddy GV, Shapiro-Ilan DI

J Nematol

08-May-2024

PMCID:	PMC11078269
doi:	10.2478/jofnem-2024-0018
PMID:	38721061

Sublethal effects of a commercial Bt product and Bt cotton flowers on the bollworm (Helicoverpa zea) with impacts to predation from a lady beetle (Hippodamia convergens)

Elkins BH, Portilla M, Allen KC, Little NS, Mullen RM, Paulk RT, Read QD

PLoS One

06-May-2024

PMCID:	PMC11073675
doi:	10.1371/journal.pone.0302941
PMID:	38709777

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

Kaya C, Uğurlar F, Adamakis ID

Int J Mol Sci

06-May-2024

PMCID:	PMC11084290
doi:	10.3390/ijms25095043
PMID:	38732261

Application of Developmental Regulators for Enhancing Plant Regeneration and Genetic Transformation

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

Plants (Basel)

04-May-2024

PMCID:	PMC11085514
doi:	10.3390/plants13091272
PMID:	38732487

Abscisic acid and glycine betaine-mediated seed and root priming enhance seedling growth and antioxidative defense in wheat under drought

Baroi A, Ritu SA, Khan MS, Uddin MN, Hossain MA, Haque MS

Heliyon

03-May-2024

PMCID:	PMC11089379
doi:	10.1016/j.heliyon.2024.e30598
PMID:	38742073

Metabolic Rewiring in Cancer: Small Molecule Inhibitors in Colorectal Cancer Therapy

Masci D, Puxeddu M, Silvestri R, La Regina G

Molecules

02-May-2024

PMCID:	PMC11085455
doi:	10.3390/molecules29092110
PMID:	38731601

Pollen thermotolerance of a widespread plant, Lotus corniculatus, in response to climate warming: possible local adaptation of populations from different elevations

Jackwerth K, Biella P, Klečka J

PeerJ

30-Apr-2024

PMCID:	PMC11067902
doi:	10.7717/peerj.17148
PMID:	38708360

Identification of the Gossypium hirsutum SDG Gene Family and Functional Study of GhSDG59 in Response to Drought Stress

Wang Z, Fu W, Zhang X, Liusui Y, Saimi G, Zhao H, Zhang J, Guo Y

Plants (Basel)

30-Apr-2024

PMCID:	PMC11085088
doi:	10.3390/plants13091257
PMID:	38732472

MicroRNA164 Affects Plant Responses to UV Radiation in Perennial Ryegrass

Xu C, Huang X, Ma N, Liu Y, Xu A, Zhang X, Li D, Li Y, Zhang W, Wang K

Plants (Basel)

30-Apr-2024

PMCID:	PMC11085334
doi:	10.3390/plants13091242
PMID:	38732457

Biosecurity risks to human food supply associated with plant-parasitic nematodes

Kantor C, Eisenback JD, Kantor M

Front Plant Sci

30-Apr-2024

PMCID:	PMC11091314
doi:	10.3389/fpls.2024.1404335
PMID:	38745921

GhMYB52 Like: A Key Factor That Enhances Lint Yield by Negatively Regulating the Lignin Biosynthesis Pathway in Fibers of Upland Cotton (Gossypium hirsutum L.)

Yang Y, Zhou X, Zhu X, Ding B, Jiang L, Zhang H, Li S, Cao S, Zhang M, Pei Y, Hou L

Int J Mol Sci

30-Apr-2024

PMCID:	PMC11084151
doi:	10.3390/ijms25094921
PMID:	38732136

Fourier Transform Infrared (FT-IR) Spectroscopy and Simple Algorithm Analysis for Rapid and Non-Destructive Assessment of Cotton Fiber Maturity and Crystallinity for Plant Mapping

Kim HJ, Liu Y, Zeng L

Sensors (Basel)

30-Apr-2024

PMCID:	PMC11086078
doi:	10.3390/s24092888
PMID:	38732993

Phytochemical Profile Top

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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
> Benzenoids / Anthracenes / Anthraquinones / Hydroxyanthraquinones
(8aS,10aR)-2,3-dihydroxy-10a-methyl-6-(4-methylpent-3-enyl)-9,10-dioxo-4-propan-2-yl-8,8a-dihydro-5H-anthracene-1-carbaldehyde	22213978	Click to see CC(C)C1=C2C(=C(C(=C1O)O)C=O)C(=O)C3CC=C(CC3(C2=O)C)CCC=C(C)C	410.50	unknown	https://doi.org/10.1016/S0031-9422(00)89702-2
heliocide H3	550597	Click to see CC(C)C1=C2C(=C(C(=C1O)O)C=O)C(=O)C3CC=C(CC3(C2=O)C)CCC=C(C)C	410.50	unknown	https://doi.org/10.1016/S0031-9422(00)89702-2
> Benzenoids / Benzene and substituted derivatives
1,2-Diethylbenzene	8657	Click to see CCC1=CC=CC=C1CC	134.22	unknown	https://doi.org/10.1021/JF60200A011
Ethylbenzene	7500	Click to see CCC1=CC=CC=C1	106.16	unknown	https://doi.org/10.1021/JF60200A011
Phenylethyl Alcohol	6054	Click to see C1=CC=C(C=C1)CCO	122.16	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
3,4-Dihydroxybenzoic acid	72	Click to see C1=CC(=C(C=C1C(=O)O)O)O	154.12	unknown	https://doi.org/10.1016/S0031-9422(98)00075-2 https://doi.org/10.1080/10575630008041225
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives
Syringic acid	10742	Click to see COC1=CC(=CC(=C1O)OC)C(=O)O	198.17	unknown	https://doi.org/10.1007/BF00575737
> 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/10.1007/BF00575737
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
2-Methylbenzaldehyde	10722	Click to see CC1=CC=CC=C1C=O	120.15	unknown	https://doi.org/10.1021/JF60200A011
4-Methylbenzaldehyde	7725	Click to see CC1=CC=C(C=C1)C=O	120.15	unknown	https://doi.org/10.1021/JF60200A011
Benzaldehyde	240	Click to see C1=CC=C(C=C1)C=O	106.12	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol	244	Click to see C1=CC=C(C=C1)CO	108.14	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Benzene and substituted derivatives / Biphenyls and derivatives
2-Phenylphenol	7017	Click to see C1=CC=C(C=C1)C2=CC=CC=C2O	170.21	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Benzene and substituted derivatives / Halobenzenes / Chlorobenzenes / Dichlorobenzenes
1,2-Dichlorobenzene	7239	Click to see C1=CC=C(C(=C1)Cl)Cl	147.00	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Benzene and substituted derivatives / Phenylacetaldehydes
2-Phenylpropanal	7146	Click to see CC(C=O)C1=CC=CC=C1	134.17	unknown	https://doi.org/10.1021/JF60200A011
Phenylacetaldehyde	998	Click to see C1=CC=C(C=C1)CC=O	120.15	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
1-Methyl-2-propylbenzene	14091	Click to see CCCC1=CC=CC=C1C	134.22	unknown	https://doi.org/10.1021/JF60200A011
2,3-Di-sec-butylphenol	22236717	Click to see CCC(C)C1=C(C(=CC=C1)O)C(C)CC	206.32	unknown	https://doi.org/10.1021/JF60200A011
4-Propylphenol	12580	Click to see CCCC1=CC=C(C=C1)O	136.19	unknown	https://doi.org/10.1007/BF00575737
Phenylacetone	7678	Click to see CC(=O)CC1=CC=CC=C1	134.17	unknown	https://doi.org/10.1021/JF60200A011
Propylbenzene	7668	Click to see CCCC1=CC=CC=C1	120.19	unknown	https://doi.org/10.1021/JF60200A011
tert-Butylbenzene	7366	Click to see CC(C)(C)C1=CC=CC=C1	134.22	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Benzene and substituted derivatives / Toluenes
1-Ethyl-2-methylbenzene	11903	Click to see CCC1=CC=CC=C1C	120.19	unknown	https://doi.org/10.1021/JF60200A011
3-Ethyltoluene	12100	Click to see CCC1=CC=CC(=C1)C	120.19	unknown	https://doi.org/10.1021/JF60200A011
4-Ethyltoluene	12160	Click to see CCC1=CC=C(C=C1)C	120.19	unknown	https://doi.org/10.1021/JF60200A011
Toluene	1140	Click to see CC1=CC=CC=C1	92.14	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Benzene and substituted derivatives / Xylenes / o-Xylenes
O-Xylene	7237	Click to see CC1=CC=CC=C1C	106.16	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Naphthalenes
(1S)-1,7-dihydroxy-1-methyl-4-propan-2-ylnaphthalen-2-one	160557896	Click to see CC(C)C1=CC(=O)C(C2=C1C=CC(=C2)O)(C)O	232.27	unknown	https://doi.org/10.1016/S0031-9422(00)89702-2
1-Ethyl-2-methylnaphthalene	15645217	Click to see CCC1=C(C=CC2=CC=CC=C21)C	170.25	unknown	https://doi.org/10.1021/JF60200A011
1-Methylnaphthalene	7002	Click to see CC1=CC=CC2=CC=CC=C12	142.20	unknown	https://doi.org/10.1021/JF60200A011
2-Methylnaphthalene	7055	Click to see CC1=CC2=CC=CC=C2C=C1	142.20	unknown	https://doi.org/10.1021/JF60200A011
Acenaphthene	6734	Click to see C1CC2=CC=CC3=C2C1=CC=C3	154.21	unknown	https://doi.org/10.1021/JF60200A011
Diethylnaphthalene	526761	Click to see CCC1=C(C2=CC=CC=C2C=C1)CC	184.28	unknown	https://doi.org/10.1021/JF60200A011
Naphthalene	931	Click to see C1=CC=C2C=CC=CC2=C1	128.17	unknown	https://doi.org/10.1021/JF60200A011
> Benzenoids / Naphthalenes / Naphthols and derivatives
7-Methyl-5-(1-methylethyl)-2H-naphtho(1,8-bc)furan-3,4-diol	119497	Click to see CC1=CC2=C3C(=C(C(=C2C(C)C)O)O)COC3=C1	244.28	unknown	https://doi.org/10.1016/S0031-9422(99)00331-3 https://doi.org/10.1021/JF00069A030
8-Methyl-5-propan-2-ylnaphthalen-2-ol	10878174	Click to see CC1=C2C=C(C=CC2=C(C=C1)C(C)C)O	200.28	unknown	https://doi.org/10.1016/S0031-9422(00)89702-2
> Benzenoids / Phenanthrenes and derivatives
15-[1-(5-Hydroxy-4,5-dimethyl-2,7-dioxabicyclo[2.2.1]heptan-1-yl)ethyl]-2-methyl-8-oxapentacyclo[9.8.0.02,7.07,9.012,17]nonadeca-4,12(17),13,15-tetraen-3-one	85371756	Click to see CC(C1=CC2=C(C=C1)C3CC4C5(O4)CC=CC(=O)C5(C3CC2)C)C67CC(C(O6)(CO7)C)(C)O	450.60	unknown	https://doi.org/10.1016/S0031-9422(00)94578-3
> Benzenoids / Phenol esters
Guaiacol propionate	348502	Click to see CCC(=O)OC1=CC=CC=C1OC	180.20	unknown	https://doi.org/10.1007/BF00575737
> Benzenoids / Phenols / 1-hydroxy-2-unsubstituted benzenoids
4-Ethylphenol	31242	Click to see CCC1=CC=C(C=C1)O	122.16	unknown	https://doi.org/10.1007/BF00575737
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Phenol	996	Click to see C1=CC=C(C=C1)O	94.11	unknown	https://doi.org/10.1021/JF60200A011 https://doi.org/10.1007/BF00575737
> Benzenoids / Phenols / Methoxyphenols
2-Ethyl-6-methoxyphenol	180594	Click to see CCC1=C(C(=CC=C1)OC)O	152.19	unknown	https://doi.org/10.1007/BF00575737
2-Methoxy-6-propylphenol	14009683	Click to see CCCC1=C(C(=CC=C1)OC)O	166.22	unknown	https://doi.org/10.1007/BF00575737
4-Butyl-2,6-dimethoxyphenol	13915427	Click to see CCCCC1=CC(=C(C(=C1)OC)O)OC	210.27	unknown	https://doi.org/10.1007/BF00575737
4-Ethyl-2-methoxyphenol	62465	Click to see CCC1=CC(=C(C=C1)O)OC	152.19	unknown	https://doi.org/10.1007/BF00575737
Guaiacol	460	Click to see COC1=CC=CC=C1O	124.14	unknown	https://doi.org/10.1007/BF00575737
Syringyl propanol	118110362	Click to see CCC(CC1=CC(=C(C(=C1)OC)O)OC)O	226.27	unknown	https://doi.org/10.1007/BF00575737
Vanillin	1183	Click to see COC1=C(C=CC(=C1)C=O)O	152.15	unknown	https://doi.org/10.1021/JF60200A011 https://doi.org/10.1007/BF00575737
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Decane	15600	Click to see CCCCCCCCCC	142.28	unknown	https://doi.org/10.1021/JF60200A011
Dodecane	8182	Click to see CCCCCCCCCCCC	170.33	unknown	https://doi.org/10.1021/JF60200A011
Pentadecane	12391	Click to see CCCCCCCCCCCCCCC	212.41	unknown	https://doi.org/10.1021/JF60200A011
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
3-Methyltetradecane	86735	Click to see CCCCCCCCCCCC(C)CC	212.41	unknown	https://doi.org/10.1021/JF60200A011
> 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/JF60200A011
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins / Cycloalkenes
4-Isopropylcyclohexene	525578	Click to see CC(C)C1CCC=CC1	124.22	unknown	https://doi.org/10.1021/JF60200A011
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
1-Decene	13381	Click to see CCCCCCCCC=C	140.27	unknown	https://doi.org/10.1021/JF60200A011
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters / Fatty acid methyl esters
Methyl oleate	5364509	Click to see CCCCCCCCC=CCCCCCCCC(=O)OC	296.50	unknown	https://doi.org/10.1021/JF60200A011
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Arachidonic Acid	444899	Click to see CCCCCC=CCC=CCC=CCC=CCCCC(=O)O	304.50	unknown	https://doi.org/10.1016/S0031-9422(97)00265-3
Heptadecadienic acid	54355075	Click to see CCCCCCCCCCCCC=CC=CC(=O)O	266.40	unknown	https://doi.org/10.1021/JF60200A011
Heptadecadienoic acid	87266713	Click to see CCCCCCCCCCCCC=CC=CC(=O)O	266.40	unknown	https://doi.org/10.1021/JF60200A011
Heptadecaenoic acid	117769	Click to see CCCCCCCCCCCCCCC=CC(=O)O	268.40	unknown	https://doi.org/10.1021/JF60200A011
Heptadecanoic acid	10465	Click to see CCCCCCCCCCCCCCCCC(=O)O	270.50	unknown	https://doi.org/10.1021/JF60200A011 https://doi.org/10.1016/S0031-9422(97)00265-3
Malvalic acid	10416	Click to see CCCCCCCCC1=C(C1)CCCCCCC(=O)O	280.40	unknown	https://doi.org/10.1007/BF02659664
Myristic Acid	11005	Click to see CCCCCCCCCCCCCC(=O)O	228.37	unknown	https://doi.org/10.1016/S0031-9422(97)00265-3 https://doi.org/10.1007/BF00563626 https://doi.org/10.1007/BF02531935 https://doi.org/10.32388/D0O6OH
Myristoleic Acid	5281119	Click to see CCCCC=CCCCCCCCC(=O)O	226.35	unknown	https://doi.org/10.1016/S0031-9422(97)00265-3
Oleic Acid	445639	Click to see CCCCCCCCC=CCCCCCCCC(=O)O	282.50	unknown	https://doi.org/10.32388/D0O6OH https://doi.org/10.1007/BF00563626 https://doi.org/10.1016/S0031-9422(97)00265-3 https://doi.org/10.1007/BF02531935
Palmitic Acid	985	Click to see CCCCCCCCCCCCCCCC(=O)O	256.42	unknown	https://doi.org/10.1021/JF60200A011 https://doi.org/10.1007/BF02531935 https://doi.org/10.1016/S0031-9422(97)00265-3 https://doi.org/10.1007/BF00563626 https://doi.org/10.32388/D0O6OH
Palmitoleic Acid	445638	Click to see CCCCCCC=CCCCCCCCC(=O)O	254.41	unknown	https://doi.org/10.1007/BF02531935 https://doi.org/10.1007/BF00563626 https://doi.org/10.32388/D0O6OH https://doi.org/10.1016/S0031-9422(97)00265-3
Pentadecanoic Acid	13849	Click to see CCCCCCCCCCCCCCC(=O)O	242.40	unknown	https://doi.org/10.1021/JF60200A011
Stearic Acid	5281	Click to see CCCCCCCCCCCCCCCCCC(=O)O	284.50	unknown	https://doi.org/10.32388/D0O6OH https://doi.org/10.1021/JF60200A011 https://doi.org/10.1007/BF00563626 https://doi.org/10.1016/S0031-9422(97)00265-3 https://doi.org/10.1007/BF02531935
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
Capric Acid	2969	Click to see CCCCCCCCCC(=O)O	172.26	unknown	https://doi.org/10.1021/JF60200A011 https://doi.org/10.1016/S0031-9422(97)00265-3
Nonanoic Acid	8158	Click to see CCCCCCCCC(=O)O	158.24	unknown	https://doi.org/10.1021/JF60200A011
Octanoic Acid	379	Click to see CCCCCCCC(=O)O	144.21	unknown	https://doi.org/10.1016/S0031-9422(97)00265-3
Sterculic acid	12921	Click to see CCCCCCCCC1=C(C1)CCCCCCCC(=O)O	294.50	unknown	https://doi.org/10.1007/BF02659664
Undecanoic Acid	8180	Click to see CCCCCCCCCCC(=O)O	186.29	unknown	https://doi.org/10.1021/JF60200A011
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
Hexacosanoic acid	10469	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	396.70	unknown	https://doi.org/10.1086/333834
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
1-Hexacosanol	68171	Click to see CCCCCCCCCCCCCCCCCCCCCCCCCCO	382.70	unknown	https://doi.org/10.1086/333834
1-Hexanol	8103	Click to see CCCCCCO	102.17	unknown	https://doi.org/10.1021/JF60200A011
4-Hexen-1-ol, (4Z)-	61370	Click to see CC=CCCCO	100.16	unknown	https://doi.org/10.1021/JF60200A011
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
Elaidolinolenic acid	5282822	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1016/S0031-9422(97)00265-3 https://doi.org/10.1021/JF60200A011 https://doi.org/10.1007/BF02531935 https://doi.org/10.32388/D0O6OH
Linoleic Acid	5280450	Click to see CCCCCC=CCC=CCCCCCCCC(=O)O	280.40	unknown	https://doi.org/10.32388/D0O6OH https://doi.org/10.1021/JF60200A011 https://doi.org/10.1007/BF00563626 https://doi.org/10.1016/S0031-9422(97)00265-3 https://doi.org/10.1007/BF02659664 https://doi.org/10.1007/BF02531935
Linolenic Acid	5280934	Click to see CCC=CCC=CCC=CCCCCCCCC(=O)O	278.40	unknown	https://doi.org/10.1016/S0031-9422(97)00265-3 https://doi.org/10.1021/JF60200A011 https://doi.org/10.1007/BF02531935 https://doi.org/10.32388/D0O6OH
Methyl linoleate	5284421	Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC	294.50	unknown	https://doi.org/10.1021/JF60200A011
> 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/JF60200A011
beta-OCIMENE, (3E)-	5281553	Click to see CC(=CCC=C(C)C=C)C	136.23	unknown	https://doi.org/10.1021/JF60200A011
Citronellal	7794	Click to see CC(CCC=C(C)C)CC=O	154.25	unknown	https://doi.org/10.1021/JF60200A011
Geraniol	637566	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	https://doi.org/10.1021/JF60200A011
Myrcene	31253	Click to see CC(=CCCC(=C)C=C)C	136.23	unknown	https://doi.org/10.1021/JF60200A011
Nerol	643820	Click to see CC(=CCCC(=CCO)C)C	154.25	unknown	https://doi.org/10.1021/JF60200A011
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
4-Isopropylbenzyl alcohol	325	Click to see CC(C)C1=CC=C(C=C1)CO	150.22	unknown	https://doi.org/10.1021/JF60200A011
Carvacrol	10364	Click to see CC1=C(C=C(C=C1)C(C)C)O	150.22	unknown	https://doi.org/10.1021/JF60200A011
Cuminaldehyde	326	Click to see CC(C)C1=CC=C(C=C1)C=O	148.20	unknown	https://doi.org/10.1021/JF60200A011
Thymol	6989	Click to see CC1=CC(=C(C=C1)C(C)C)O	150.22	unknown	https://doi.org/10.1021/JF60200A011
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(+)-Isoborneol	6973640	Click to see CC1(C2CCC1(C(C2)O)C)C	154.25	unknown	https://doi.org/10.1021/JF60200A011
(1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one	6973628	Click to see CC1=CC(=O)C2CC1C2(C)C	150.22	unknown	https://doi.org/10.1021/JF60200A011
alpha-Bergamotene	86608	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1603/EC12178
alpha-CIS-BERGAMOTENE	6429303	Click to see CC1=CCC2CC1C2(C)CCC=C(C)C	204.35	unknown	https://doi.org/10.1603/EC12178
alpha-PINENE	6654	Click to see CC1=CCC2CC1C2(C)C	136.23	unknown	https://doi.org/10.1021/JF60200A011
beta-Pinene	14896	Click to see CC1(C2CCC(=C)C1C2)C	136.23	unknown	https://doi.org/10.1021/JF60200A011
Camphene	6616	Click to see CC1(C2CCC(C2)C1=C)C	136.23	unknown	https://doi.org/10.1021/JF60200A011
Myrtenal	61130	Click to see CC1(C2CC=C(C1C2)C=O)C	150.22	unknown	https://doi.org/10.1021/JF60200A011
Myrtenol	10582	Click to see CC1(C2CC=C(C1C2)CO)C	152.23	unknown	https://doi.org/10.1021/JF60200A011
Verbenone	29025	Click to see CC1=CC(=O)C2CC1C2(C)C	150.22	unknown	https://doi.org/10.1021/JF60200A011
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
alpha-PHELLANDRENE	7460	Click to see CC1=CCC(C=C1)C(C)C	136.23	unknown	https://doi.org/10.1021/JF60200A011
alpha-Terpinene	7462	Click to see CC1=CC=C(CC1)C(C)C	136.23	unknown	https://doi.org/10.1021/JF60200A011
Alpha-Terpineol	17100	Click to see CC1=CCC(CC1)C(C)(C)O	154.25	unknown	https://doi.org/10.1021/JF60200A011
Beta-Phellandrene	11142	Click to see CC(C)C1CCC(=C)C=C1	136.23	unknown	https://doi.org/10.1021/JF60200A011
Carveol	7438	Click to see CC1=CCC(CC1O)C(=C)C	152.23	unknown	https://doi.org/10.1021/JF60200A011
Isopulegone	34645	Click to see CC1CCC(C(=O)C1)C(=C)C	152.23	unknown	https://doi.org/10.1021/JF60200A011
Limonene, (-)-	439250	Click to see CC1=CCC(CC1)C(=C)C	136.23	unknown	https://doi.org/10.1021/JF60200A011
Perillaldehyde	16441	Click to see CC(=C)C1CCC(=CC1)C=O	150.22	unknown	https://doi.org/10.1021/JF60200A011
Terpinolene	11463	Click to see CC1=CCC(=C(C)C)CC1	136.23	unknown	https://doi.org/10.1021/JF60200A011
> 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/JF60200A011
(-)-delta-Cadinene	12306055	Click to see CC1=CC2C(CCC(=C2CC1)C)C(C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
(+)-Nerolidol	5356544	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1021/JF60200A011
(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/JF60200A011
(1S,4S)-7-hydroxy-1,6-dimethyl-4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one	101928607	Click to see CC1C(=O)CC(C2=C1C=C(C(=C2)C)O)C(C)C	232.32	unknown	https://doi.org/10.1016/0031-9422(94)00958-V
(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/JF60200A011
(3R,6E)-nerolidol	11241545	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1021/JF60200A011
(5R,8S)-3,8-Dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol	13368072	Click to see CC1CCC(C2=C1C=C(C(=C2)C)O)C(C)C	218.33	unknown	https://doi.org/10.1016/0031-9422(94)00958-V
(7b,10a)-3-Hydroxy-1,3,5-cadinatrien-9-one	131753002	Click to see CC1C(=O)CC(C2=C1C=C(C(=C2)C)O)C(C)C	232.32	unknown	https://doi.org/10.1016/0031-9422(94)00958-V
(E)-alpha-bisabolene	5315468	Click to see CC1=CCC(CC1)C(=CCC=C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
(Z)-alpha-Bisabolene	5352653	Click to see CC1=CCC(CC1)C(=CCC=C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
1-Hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1H)-one	139085983	Click to see CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O	260.33	unknown	https://doi.org/10.1016/S0031-9422(99)00331-3
1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane	527060	Click to see CC(=CCCC(=C)C1CCC2(C(C1)O2)C)C	220.35	unknown	https://doi.org/10.1021/JF60200A011
1,7-Dihydroxy-1,6-dimethyl-4-(propan-2-yl)-1,2-dihydronaphthalen-2-one	15599876	Click to see CC1=CC2=C(C=C1O)C(C(=O)C=C2C(C)C)(C)O	246.30	unknown	https://doi.org/10.1016/S0031-9422(99)00331-3 https://doi.org/10.1016/0031-9422(90)80166-E
10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one	3504625	Click to see CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O	260.33	unknown	https://doi.org/10.1016/S0031-9422(99)00331-3 https://doi.org/10.1016/0031-9422(90)80166-E
2-Hydroxy-7-methoxycadalene	155022	Click to see CC1=CC2=C(C=C1OC)C(=C(C=C2C(C)C)O)C	244.33	unknown	https://doi.org/10.1016/S0031-9422(99)00331-3 https://doi.org/10.1016/0031-9422(90)80166-E
2,3-Dihydroxy-7-methoxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde	15520697	Click to see CC1=C(C(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=O)OC	304.29	unknown	https://doi.org/10.1016/S0031-9422(00)90470-9
2,7-Dihydroxycadalene	157057	Click to see CC1=CC2=C(C=C1O)C(=C(C=C2C(C)C)O)C	230.30	unknown	https://doi.org/10.1016/S0031-9422(99)00331-3 https://doi.org/10.1016/0031-9422(90)80166-E
2,8-Dihydroxy-3-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde	623685	Click to see CC1=CC2=C(C(=C1)O)C(=C(C(=C2C(C)C)OC)O)C=O	274.31	unknown	https://doi.org/10.1021/JF00069A030
3-Cyclohexen-1-ol, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-	27208	Click to see CC1=CCC(CC1)(C(C)CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1021/JF60200A011
3,8-Dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol	3015179	Click to see CC1CCC(C2=C1C=C(C(=C2)C)O)C(C)C	218.33	unknown	https://doi.org/10.1016/0031-9422(94)00958-V
6-Epi-beta-bisabolol	12300148	Click to see CC1=CCC(CC1)(C(C)CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1021/JF60200A011
alpha-Bisabolol	10586	Click to see CC1=CCC(CC1)C(C)(CCC=C(C)C)O	222.37	unknown	https://doi.org/10.1021/JF60200A011
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/JF60200A011
Alpha-Farnesene	5281516	Click to see CC(=CCCC(=CCC=C(C)C=C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
alpha-Santalene	94164	Click to see CC(=CCCC1(C2CC3C1(C3C2)C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
beta-Farnesene	5281517	Click to see CC(=CCCC(=CCCC(=C)C=C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
beta-Ionone	638014	Click to see CC1=C(C(CCC1)(C)C)C=CC(=O)C	192.30	unknown	https://doi.org/10.1021/JF60200A011
beta-Santalene	10889018	Click to see CC(=CCCC1(C2CCC(C2)C1=C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
Caryophyllene	5281515	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
Caryophyllene,alpha + beta mixt.	5354499	Click to see CC1=CCCC(=C)C2CC(C2CC1)(C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
Copaene	19725	Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
Delta-Guaiene	94275	Click to see CC1CCC2=C(CCC(CC12)C(=C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
Epi-beta-Santalene	11106484	Click to see CC(=CCCC1(C2CCC(C2)C1=C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
gamma-Bisabolene, (Z)-	3033866	Click to see CC1=CCC(=C(C)CCC=C(C)C)CC1	204.35	unknown	https://doi.org/10.1021/JF60200A011
Gossypol	3503	Click to see CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O	518.60	unknown	https://doi.org/10.1007/BF00566350 https://doi.org/10.1021/NP980314O https://doi.org/10.1139/B92-181 https://doi.org/10.1021/JF00092A038 https://doi.org/10.3358/SHOKUEISHI.25.264 https://doi.org/10.1055/S-2006-961512 https://doi.org/10.1111/J.1365-2621.1975.TB01069.X https://doi.org/10.1111/J.1365-2621.1984.TB10391.X https://doi.org/10.1016/0378-8741(87)90113-9 https://doi.org/10.1016/0010-7824(85)90027-7 https://doi.org/10.1007/BF03186061 https://doi.org/10.1021/JF60229A021 https://doi.org/10.1016/0308-8146(90)90109-H https://doi.org/10.1039/C39850001573 https://doi.org/10.1002/JSFA.2740630103 https://doi.org/10.1021/JF00037A037 https://doi.org/10.32388/D0O6OH https://doi.org/10.1021/NP50013A001 https://doi.org/10.1530/JRF.0.1020073 https://doi.org/10.1111/J.1365-2621.1983.TB14948.X https://doi.org/10.1016/0010-7824(88)90026-1 https://doi.org/10.1021/CR60208A002 https://doi.org/10.1021/JF00079A010 https://doi.org/10.1039/C39850000168 https://doi.org/10.1021/JF60226A038 https://doi.org/10.1002/JHRC.1240071106
Gossyrubilone	137185909	Click to see CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=NCCC(C)C	343.40	unknown	https://doi.org/10.1016/S0031-9422(00)94578-3
Gossyvertin	186727	Click to see CC1=CC2=C(C(=C(C=C2C(C)C)O)C=O)C(=C1OC)O	274.31	unknown	https://doi.org/10.1007/BF00566347
Hemigossypol	115300	Click to see CC1=CC2=C(C(=C1)O)C(=C(C(=C2C(C)C)O)O)C=O	260.28	unknown	https://doi.org/10.1016/S0031-9422(99)00331-3 https://doi.org/10.1016/S0031-9422(03)00270-X https://doi.org/10.1021/JF00069A030 https://doi.org/10.1021/JF60226A038
Hemigossypolone	182249	Click to see CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=O	274.27	unknown	https://doi.org/10.1021/JF00037A037 https://doi.org/10.1016/S0031-9422(00)90470-9
Humulene	5281520	Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
Lacinilene C	170551	Click to see CC1=CC2=C(C=C1O)C(C(=O)C=C2C(C)C)(C)O	246.30	unknown	https://doi.org/10.1016/S0031-9422(99)00331-3 https://doi.org/10.1016/0031-9422(90)80166-E
Lacinilene C 7-methyl ether	108125	Click to see CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O	260.33	unknown	https://doi.org/10.1016/0031-9422(90)80166-E
Nerolidol	8888	Click to see CC(=CCCC(=CCCC(C)(C=C)O)C)C	222.37	unknown	https://doi.org/10.1021/JF60200A011
Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-	10534	Click to see CC(=CCCC1(C2CCC(C2)C1=C)C)C	204.35	unknown	https://doi.org/10.1021/JF60200A011
rel-(1R,4S)-3,4-Dihydro-7-hydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone	101928610	Click to see CC1C(=O)CC(C2=C1C=C(C(=C2)C)O)C(C)C	232.32	unknown	https://doi.org/10.1016/0031-9422(94)00958-V
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Abscisic acids and derivatives
(+)-Abscisic acid	5375200	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	https://doi.org/10.1007/BF02902150
(4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid	131954763	Click to see CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C	264.32	unknown	https://doi.org/10.1007/BF02902150
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene	91746456	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1016/0031-9422(95)00577-T
Aromadendrene	91354	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1016/0031-9422(95)00577-T
beta-Aromadendrene	42608157	Click to see CC1CCC2C1C3C(C3(C)C)CCC2=C	204.35	unknown	https://doi.org/10.1016/0031-9422(95)00577-T
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
7-epi-alpha-Selinene	10123	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(95)00577-T
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene	519361	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	https://doi.org/10.1016/0031-9422(95)00577-T
alpha-Selinene	10856614	Click to see CC1=CCCC2(C1CC(CC2)C(=C)C)C	204.35	unknown	https://doi.org/10.1016/0031-9422(95)00577-T
beta-Selinene	442393	Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C	204.35	unknown	https://doi.org/10.1016/0031-9422(95)00577-T
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
Germacrone	6436348	Click to see CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C	218.33	unknown	https://doi.org/10.1021/JF60200A011
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cholestane steroids / Cholesterols and derivatives
Cholesta-5,24-dien-3beta-ol	313036	Click to see CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	384.60	unknown	https://doi.org/10.1007/BF02534857
Desmosterol	439577	Click to see CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	384.60	unknown	https://doi.org/10.1007/BF02534857
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Cycloartanols and derivatives
(3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol	145925700	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	https://doi.org/10.1007/BF02534857 https://doi.org/10.1086/333834
29-Nor-cycloartanol	44423588	Click to see CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCCC(C)C)C	414.70	unknown	https://doi.org/10.1007/BF02534857
31-Norcycloartenol	14524546	Click to see CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC=C(C)C)C	412.70	unknown	https://doi.org/10.1007/BF02534857
Cycloartenol	92110	Click to see CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C	426.70	unknown	https://doi.org/10.1007/BF02534857 https://doi.org/10.1086/333834
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Hydroxysteroids / 3-hydroxysteroids
Pollinastanol	441832	Click to see CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5)O)C)C	400.70	unknown	https://doi.org/10.1007/BF02534857
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
[(3R,5S,8S,9S,10S,11R,13R,14S,17R)-17-ethenyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate	25180961	Click to see CC(=O)OC1CC2(C(CCC2C3C1C4(CCC(CC4CC3)O)C)C=C)C	360.50	unknown	https://doi.org/10.1007/BF02291539 https://doi.org/10.1021/JF60229A021
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
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/10.1007/BF02534857 https://doi.org/10.1021/JF60200A011
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/10.1007/BF02534857 https://doi.org/10.1021/JF60200A011
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/10.1007/BF02534857
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives
Asparagine	6267	Click to see C(C(C(=O)O)N)C(=O)N	132.12	unknown	https://doi.org/10.1177/004051757504500511
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Aspartic acid and derivatives
D-Aspartic acid	83887	Click to see C(C(C(=O)O)N)C(=O)O	133.10	unknown	https://doi.org/10.1177/004051757504500511
> 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/10.1177/004051757504500511
> 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/10.1177/004051757504500511
> 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/10.1177/004051757504500511
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Cysteine and derivatives
D-cysteine	92851	Click to see C(C(C(=O)O)N)S	121.16	unknown	https://doi.org/10.1177/004051757504500511
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acid derivatives / Carboxylic acid esters
Ethyl Acetate	8857	Click to see CCOC(=O)C	88.11	unknown	https://doi.org/10.1021/JF60200A011
> 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/JF00071A036
> 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/JF00071A036
> Organic oxygen compounds / Organic oxides
Cyclohexanecarboxaldehyde	16275	Click to see C1CCC(CC1)C=O	112.17	unknown	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclic alcohols and derivatives
4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, stereoisomer	521185	Click to see CC1(CC2C(C1)C3(CCCC2(C3O)C)C)C	222.37	unknown	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Inositol phosphates
Phytic acid	890	Click to see C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O	660.04	unknown	https://doi.org/10.1007/BF00937621 https://doi.org/10.1007/BF00564812
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
1-Pentanol	6276	Click to see CCCCCO	88.15	unknown	https://doi.org/10.1021/JF60200A011
2-Cyclohexa-1,3-dien-1-yl-4-methylpentan-1-ol	163195778	Click to see CC(C)CC(CO)C1=CC=CCC1	180.29	unknown	https://doi.org/10.1021/JF60200A011
2-Methyl-1-butanol	8723	Click to see CCC(C)CO	88.15	unknown	https://doi.org/10.1021/JF60200A011
Isoamyl alcohol	31260	Click to see CC(C)CCO	88.15	unknown	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
1-Penten-3-OL	12020	Click to see CCC(C=C)O	86.13	unknown	https://doi.org/10.1021/JF60200A011
Oct-6-en-4-ol	57006309	Click to see CCCC(CC=CC)O	128.21	unknown	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols / Cyclohexanols
Cyclohexanol	7966	Click to see C1CCC(CC1)O	100.16	unknown	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Tertiary alcohols
6-Methoxy-1-propylcyclohexa-2,4-dien-1-ol	154505258	Click to see CCCC1(C=CC=CC1OC)O	168.23	unknown	https://doi.org/10.1007/BF00575737
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / O-glycosyl compounds
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/JF00071A036 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1066103/
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[6-hydroxy-10-(hydroxymethyl)-7-[(2S)-1-hydroxypropan-2-yl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-yl]oxy]oxan-2-yl]methyl hydrogen sulfate	162866484	Click to see CC(CO)C1=C(C(=C2COC3=CC(=CC1=C23)CO)OC4C(C(C(C(O4)COS(=O)(=O)O)O)O)O)O	518.50	unknown	https://doi.org/10.1016/J.TET.2008.04.013
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[6-hydroxy-7-[(2S)-1-hydroxypropan-2-yl]-10-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-yl]oxy]oxan-2-yl]methyl hydrogen sulfate	162882460	Click to see CC1=CC2=C3C(=C(C(=C2C(C)CO)O)OC4C(C(C(C(O4)COS(=O)(=O)O)O)O)O)COC3=C1	502.50	unknown	https://doi.org/10.1016/J.TET.2008.04.013
[3,4,5-Trihydroxy-6-[[6-hydroxy-10-(hydroxymethyl)-7-(1-hydroxypropan-2-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-yl]oxy]oxan-2-yl]methyl hydrogen sulfate	74347689	Click to see CC(CO)C1=C(C(=C2COC3=CC(=CC1=C23)CO)OC4C(C(C(C(O4)COS(=O)(=O)O)O)O)O)O	518.50	unknown	https://doi.org/10.1016/J.TET.2008.04.013
[3,4,5-Trihydroxy-6-[[6-hydroxy-7-(1-hydroxypropan-2-yl)-10-methyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-5-yl]oxy]oxan-2-yl]methyl hydrogen sulfate	74347729	Click to see CC1=CC2=C3C(=C(C(=C2C(C)CO)O)OC4C(C(C(C(O4)COS(=O)(=O)O)O)O)O)COC3=C1	502.50	unknown	https://doi.org/10.1016/J.TET.2008.04.013
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Monosaccharides / Hexoses
D-Glucose	5793	Click to see C(C1C(C(C(C(O1)O)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF00071A036
D(+)-Glucose	107526	Click to see C(C(C(C(C(C=O)O)O)O)O)O	180.16	unknown	https://doi.org/10.1021/JF00071A036
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Oligosaccharides
Gal(a1-6)D-Ido(a1-6)Glc(a1-2b)Psif	132990894	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	666.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1066103/
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://www.ncbi.nlm.nih.gov/pmc/articles/PMC1066103/
Stachyose	439531	Click to see C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O	666.60	unknown	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1066103/
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
Isovaleraldehyde	11552	Click to see CC(C)CC=O	86.13	unknown	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
2-Octenal	5283324	Click to see CCCCCC=CC=O	126.20	unknown	https://doi.org/10.1021/JF60200A011
Heptanal	8130	Click to see CCCCCCC=O	114.19	unknown	https://doi.org/10.1021/JF60200A011
Hexanal	6184	Click to see CCCCCC=O	100.16	unknown	https://doi.org/10.1021/JF60200A011
Non-2-enal	17166	Click to see CCCCCCC=CC=O	140.22	unknown	https://doi.org/10.1021/JF60200A011
Oct-2-enal	16900	Click to see CCCCCC=CC=O	126.20	unknown	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aryl ketones / Aryl alkyl ketones
1-(Furan-2-yl)-2-methylpropan-1-one	231324	Click to see CC(C)C(=O)C1=CC=CO1	138.16	unknown	https://doi.org/10.1021/JF60200A011
2-Acetyl-4-methylfuran	13237617	Click to see CC1=COC(=C1)C(=O)C	124.14	unknown	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
4-Hydroxybenzaldehyde	126	Click to see C1=CC(=CC=C1C=O)O	122.12	unknown	https://doi.org/10.1007/BF00575737
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
Cycloheptanone	10400	Click to see C1CCCC(=O)CC1	112.17	unknown	https://doi.org/10.1021/JF60200A011
Cyclohexanone	7967	Click to see C1CCC(=O)CC1	98.14	unknown	https://doi.org/10.1021/JF60200A011
> 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	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
2'-Methylacetophenone	11340	Click to see CC1=CC=CC=C1C(=O)C	134.17	unknown	https://doi.org/10.1021/JF60200A011
4'-Ethylacetophenone	13642	Click to see CCC1=CC=C(C=C1)C(=O)C	148.20	unknown	https://doi.org/10.1021/JF60200A011
Acetophenone	7410	Click to see CC(=O)C1=CC=CC=C1	120.15	unknown	https://doi.org/10.1021/JF60200A011
> Organic oxygen compounds / Organooxygen compounds / Ketenes
1-Nonenal	3015503	Click to see CCCCCCCC=C=O	140.22	unknown	https://doi.org/10.1021/JF60200A011
> Organohalogen compounds / Vinyl halides / Vinyl chlorides
Tetrachloroethylene	31373	Click to see C(=C(Cl)Cl)(Cl)Cl	165.80	unknown	https://doi.org/10.1021/JF60200A011
> Organoheterocyclic compounds / Benzothiazoles
Benzothiazole	7222	Click to see C1=CC=C2C(=C1)N=CS2	135.19	unknown	https://doi.org/10.1021/JF60200A011
> Organoheterocyclic compounds / Diazines / Pyrazines
2,3,5,6-Tetramethylpyrazine	14296	Click to see CC1=C(N=C(C(=N1)C)C)C	136.19	unknown	https://doi.org/10.1021/JF60200A011
> Organoheterocyclic compounds / Dihydrofurans
5-Methyl furfur-2-al	53429614	Click to see CC1=CCC(O1)(C)C=O	126.15	unknown	https://doi.org/10.1021/JF60200A011
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Butyl-4-ethenylfuran	163195750	Click to see CCCCC1=CC(=CO1)C=C	150.22	unknown	https://doi.org/10.1021/JF60200A011
2-Butyl-4-methylfuran	13197868	Click to see CCCCC1=CC(=CO1)C	138.21	unknown	https://doi.org/10.1021/JF60200A011
> Organoheterocyclic compounds / Indoles and derivatives / Indoles
Indole	798	Click to see C1=CC=C2C(=C1)C=CN2	117.15	unknown	https://doi.org/10.1021/JF60200A011
Indole-3-carboxaldehyde	10256	Click to see C1=CC=C2C(=C1)C(=CN2)C=O	145.16	unknown	https://doi.org/10.1177/004051758305300109 https://doi.org/10.1177/004051758505500104
> Organoheterocyclic compounds / Indoles and derivatives / Indolyl carboxylic acids and derivatives / Indole-3-acetic acid derivatives
Indole-3-acetic acid	802	Click to see C1=CC=C2C(=C1)C(=CN2)CC(=O)O	175.18	unknown	https://doi.org/10.1007/BF02902150
> Organoheterocyclic compounds / Lactones / Delta valerolactones
delta-Octalactone	12777	Click to see CCCC1CCCC(=O)O1	142.20	unknown	https://doi.org/10.1021/JF60200A011
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(5S)-5-heptyloxolan-2-one	441644	Click to see CCCCCCCC1CCC(=O)O1	184.27	unknown	https://doi.org/10.1021/JF60200A011
(S)-4-Nonanolide	441574	Click to see CCCCCC1CCC(=O)O1	156.22	unknown	https://doi.org/10.1021/JF60200A011
gamma-Butyrolactone	7302	Click to see C1CC(=O)OC1	86.09	unknown	https://doi.org/10.1021/JF60200A011
gamma-Caprolactone	12756	Click to see CCC1CCC(=O)O1	114.14	unknown	https://doi.org/10.1021/JF60200A011
Gamma-nonalactone	7710	Click to see CCCCCC1CCC(=O)O1	156.22	unknown	https://doi.org/10.1021/JF60200A011
Gamma-undecalactone	7714	Click to see CCCCCCCC1CCC(=O)O1	184.27	unknown	https://doi.org/10.1021/JF60200A011
> Organoheterocyclic compounds / Oxacyclic compounds
3,4-dihydro-2H-pyran	8080	Click to see C1CC=COC1	84.12	unknown	https://doi.org/10.1021/JF60200A011
> Organoheterocyclic compounds / Tetrahydrofurans
Bisabolene oxide	56842615	Click to see CC1CC(OC12CCC(=CC2)C)C=C(C)C	220.35	unknown	https://doi.org/10.1021/JF60200A011
> 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/10.1007/BF00575737
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
Scopoletin	5280460	Click to see COC1=C(C=C2C(=C1)C=CC(=O)O2)O	192.17	unknown	https://doi.org/10.1021/JF60194A049
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol	1203	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://doi.org/10.1023/B:CONC.0000018119.19021.18 https://doi.org/10.1007/BF02291539
Cianidanol	9064	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://doi.org/10.1016/S0031-9422(98)00075-2 https://doi.org/10.1007/BF02291539 https://doi.org/10.1023/B:CONC.0000018119.19021.18
Epicatechin	72276	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O	290.27	unknown	https://doi.org/10.1023/B:CONC.0000018119.19021.18 https://doi.org/10.1007/BF02291539
Leucocianidol	440833	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O	306.27	unknown	https://doi.org/10.1007/BF02291539
Leucocyanidin	71629	Click to see C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O	306.27	unknown	https://doi.org/10.1007/BF02291539
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins / Epigallocatechins
(-)-Gallocatechin	9882981	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	306.27	unknown	https://doi.org/10.1023/B:CONC.0000018119.19021.18 https://doi.org/10.1007/BF02291539
Epigallocatechin	72277	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	306.27	unknown	https://doi.org/10.1007/BF02291539 https://doi.org/10.1023/B:CONC.0000018119.19021.18
Flavan-3,3',4',5,5',7-hexol	1249	Click to see C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O	306.27	unknown	https://doi.org/10.1007/BF02291539 https://doi.org/10.1023/B:CONC.0000018119.19021.18
Leucodelphinidin	44563331	Click to see C1=C(C=C(C(=C1O)O)O)C2C(C(C3=C(C=C(C=C3O2)O)O)O)O	322.27	unknown	https://doi.org/10.1007/BF02291539
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
Quercetin	5280343	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O	302.23	unknown	https://doi.org/10.1007/S10600-008-9067-2 https://doi.org/10.1023/B:CONC.0000018119.19021.18
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Anthocyanins / Anthocyanidin-3-O-glycosides
(2S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	44256715	Click to see C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O	449.40	unknown	https://doi.org/10.1007/BF02291539 https://doi.org/10.1021/JF60229A021
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid 3-O-p-coumaroyl glycosides
[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate	57369598	Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O	594.50	unknown	https://doi.org/10.1007/S10600-008-9067-2
Tiliroside	5320686	Click to see C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O	594.50	unknown	https://doi.org/10.1007/S10600-008-9067-2
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides
3,5,7-Trihydroxy-2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one	14889228	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	464.40	unknown	https://doi.org/10.1007/S10600-008-9067-2
Quercetin-3'-glucoside	9934142	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	464.40	unknown	https://doi.org/10.1007/S10600-008-9067-2
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	51402807	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1016/S0031-9422(98)00075-2 https://doi.org/10.1021/JF60229A021 https://doi.org/10.1016/S0021-9673(01)83892-9
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	5378597	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1007/S10600-008-9067-2
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxychromen-4-one	162851990	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4(C(C(C(O4)(CO)O)O)O)CO)O	464.40	unknown	https://doi.org/10.1007/BF00564150
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxychromen-4-one	162851989	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4(C(C(C(O4)(CO)O)O)O)CO)O	464.40	unknown	https://doi.org/10.1007/BF00564150
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	5462193	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	448.40	unknown	https://doi.org/10.1007/S10600-008-9067-2
Astragalin	5282102	Click to see C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O	448.40	unknown	https://doi.org/10.1007/S10600-008-9067-2
Hyperoside	5281643	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1007/S10600-008-9067-2
Isoquercetin	5280804	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O	464.40	unknown	https://doi.org/10.1007/S10600-008-9067-2
Kaempferol 3-neohesperidoside	5318761	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O)O)O	594.50	unknown	https://doi.org/10.1016/S0021-9673(01)83892-9
Quercetin 3-diglucoside	10211337	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O	626.50	unknown	https://doi.org/10.1021/JF60229A021
Quercetin 3-gentiobioside	5320834	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O	626.50	unknown	https://doi.org/10.1021/JF60229A021
Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside	5748416	Click to see CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0021-9673(01)83892-9
Quercetin 3-O-rhamnoside	5353915	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://doi.org/10.1023/B:CONC.0000018119.19021.18
Quercitrin	5280459	Click to see CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O	448.40	unknown	https://doi.org/10.1023/B:CONC.0000018119.19021.18
Rutin	5280805	Click to see CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O	610.50	unknown	https://doi.org/10.1016/S0021-9673(01)83892-9
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one	44259225	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O	464.40	unknown	https://doi.org/10.1007/BF00571581
5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one	163194178	Click to see CC1C(C(C(C(O1)OC2=C(C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)OC)O)O)O	624.50	unknown	https://doi.org/10.1016/S0031-9422(00)82647-3
Quercetin 7-O-glucoside	5381351	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O	464.40	unknown	https://doi.org/10.1007/S10600-008-9067-2 https://doi.org/10.1007/BF00571581
Quercimeritrin	5282160	Click to see C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O	464.40	unknown	https://doi.org/10.1007/S10600-008-9067-2
Sexangularetin 3-glucoside 7-rhamnoside	74978521	Click to see CC1C(C(C(C(O1)OC2=C(C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)OC)O)O)O	624.50	unknown	https://doi.org/10.1016/S0031-9422(00)82647-3
Sexangularetin 3-glucoside-7-rhamnoside	44259928	Click to see CC1C(C(C(C(O1)OC2=C(C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O)OC)O)O)O	624.50	unknown	https://doi.org/10.1016/S0031-9422(00)82647-3

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Gossypium hirsutum

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