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Internal ID UUID643ff45ba06b5498058863
Scientific name Ligusticum officinale
Authority (Makino) Kitag.
First published in J. Jap. Bot. 38: 108 (1963)

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Synonyms Top

Scientific name Authority First published in
Cnidium officinale Makino in Y.Iinuma, Somoku-Dzusetsu, ed. 3 1(5): 345-346 (1907).

Common names Top

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Language Common/alternative name
Japanese 川芎
Korean 천궁 (식물)
lzh 芎藭
Chinese 川芎
Chinese 西芎

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Varieties (abbr. var.) Top

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Germination/Propagation Top

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Distribution (via POWO/KEW) Top

Legend for the distribution data:
- Doubtful data
- Extinct
- Introduced
- Native

Links to other databases Top

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Database ID/link to page
World Flora Online wfo-0000362443
KEW urn:lsid:ipni.org:names:844550-1
The Plant List kew-2344285
IPNI 844550-1
GBIF 3638036
CMAUP NPO22033

Genomes (via NCBI) Top

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Scientific Literature Top

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Phytochemical Profile Top

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Below are displayed the proven (via scientific papers) natural compounds!
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Name PubChem ID Canonical SMILES MW Found in Proof
> Benzenoids / Benzene and substituted derivatives
(3-Methylpentyl)benzene 521502 Click to see CCC(C)CCC1=CC=CC=C1 162.27 unknown via CMAUP database
Fenipentol 3338 Click to see CCCCC(C1=CC=CC=C1)O 164.24 unknown via CMAUP database
Pentylbenzene 10864 Click to see CCCCCC1=CC=CC=C1 148.24 unknown via CMAUP database
Phenylethyl Alcohol 6054 Click to see C1=CC=C(C=C1)CCO 122.16 unknown via CMAUP database
> 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 via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives / Gallic acid and derivatives / Gallic acids
Gallic Acid 370 Click to see C1=C(C=C(C(=C1O)O)O)C(=O)O 170.12 unknown via CMAUP database
> 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 via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzoyl derivatives
Methyl benzoylformate 84835 Click to see COC(=O)C(=O)C1=CC=CC=C1 164.16 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyl alcohols
Benzyl Alcohol 244 Click to see C1=CC=C(C=C1)CO 108.14 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Benzyloxycarbonyls
Methylbenzoyl formate 20063091 Click to see CC1=CC=CC=C1C(=O)OC=O 164.16 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Cumenes
4-Isopropyl-3-methylphenol 18597 Click to see CC1=C(C=CC(=C1)O)C(C)C 150.22 unknown via CMAUP database
o-Cymene 10703 Click to see CC1=CC=CC=C1C(C)C 134.22 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
Methyleugenol 7127 Click to see COC1=C(C=C(C=C1)CC=C)OC 178.23 unknown via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Phenylpropanes
(1-Ethylpropyl)benzene 14527 Click to see CCC(CC)C1=CC=CC=C1 148.24 unknown via CMAUP database
(R)-2-methyl-3-phenylpropanal 1549658 Click to see CC(CC1=CC=CC=C1)C=O 148.20 unknown via CMAUP database
2-(4-Methylphenyl)propan-2-ol 14529 Click to see CC1=CC=C(C=C1)C(C)(C)O 150.22 unknown via CMAUP database
2-Methyl-3-phenylpropanal 95593 Click to see CC(CC1=CC=CC=C1)C=O 148.20 unknown via CMAUP database
2-Propylphenol 12570 Click to see CCCC1=CC=CC=C1O 136.19 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 via CMAUP database
> Benzenoids / Benzene and substituted derivatives / Toluenes
1,4-Diethyl-2-methylbenzene 139518 Click to see CCC1=CC(=C(C=C1)CC)C 148.24 unknown via CMAUP database
> Benzenoids / Phenol esters
p-Tolyl acetate 8797 Click to see CC1=CC=C(C=C1)OC(=O)C 150.17 unknown via CMAUP database
> Benzenoids / Phenols / 1-hydroxy-4-unsubstituted benzenoids
Phenol, 2-octyl- 13700 Click to see CCCCCCCCC1=CC=CC=C1O 206.32 unknown via CMAUP database
> Benzenoids / Phenols / Cresols / Para cresols
2-Ethyl-4,5-dimethylphenol 247477 Click to see CCC1=C(C=C(C(=C1)C)C)O 150.22 unknown via CMAUP database
> Benzenoids / Phenols / Methoxyphenols
2-Methoxy-4-vinylphenol 332 Click to see COC1=C(C=CC(=C1)C=C)O 150.17 unknown via CMAUP database
CID 596370 596370 Click to see CC=CC1=CC(=C(C=C1)OC)O 164.20 unknown via CMAUP database
Eugenol 3314 Click to see COC1=C(C=CC(=C1)CC=C)O 164.20 unknown via CMAUP database
Isochavibetol 1781947 Click to see CC=CC1=CC(=C(C=C1)OC)O 164.20 unknown via CMAUP database
Vanillin 1183 Click to see COC1=C(C=CC(=C1)C=O)O 152.15 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes
Dodecane 8182 Click to see CCCCCCCCCCCC 170.33 unknown via CMAUP database
Pentadecane 12391 Click to see CCCCCCCCCCCCCCC 212.41 unknown via CMAUP database
Tetradecane 12389 Click to see CCCCCCCCCCCCCC 198.39 unknown via CMAUP database
Tridecane 12388 Click to see CCCCCCCCCCCCC 184.36 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Alkanes / Branched alkanes
3-Methyltridecane 110848 Click to see CCCCCCCCCCC(C)CC 198.39 unknown via CMAUP database
> Hydrocarbons / Saturated hydrocarbons / Cycloalkanes
Cyclotetradecane 67524 Click to see C1CCCCCCCCCCCCC1 196.37 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Branched unsaturated hydrocarbons
gamma-Terpinene 7461 Click to see CC1=CCC(=CC1)C(C)C 136.23 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Acyclic olefins / Alkatrienes
(3E,5E)-1,3,5-Dodecatriene 5367416 Click to see CCCCCCC=CC=CC=C 164.29 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Olefins / Cyclic olefins / Cycloalkenes
(R)-6-Butyl-1,4-cycloheptadiene 11804943 Click to see CCCCC1CC=CCC=C1 150.26 unknown via CMAUP database
6-Butyl-1,4-cycloheptadiene 556470 Click to see CCCCC1CC=CCC=C1 150.26 unknown via CMAUP database
> Hydrocarbons / Unsaturated hydrocarbons / Unsaturated aliphatic hydrocarbons
1-Hexadecene 12395 Click to see CCCCCCCCCCCCCCC=C 224.42 unknown via CMAUP database
2-Tetradecene 33650 Click to see CCCCCCCCCCCC=CC 196.37 unknown via CMAUP database
cis-2-Tetradecene 5364428 Click to see CCCCCCCCCCCC=CC 196.37 unknown via CMAUP database
trans-2-Tetradecene 5352912 Click to see CCCCCCCCCCCC=CC 196.37 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acid esters
Ethyl palmitate 12366 Click to see CCCCCCCCCCCCCCCC(=O)OCC 284.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
Arachidic Acid 10467 Click to see CCCCCCCCCCCCCCCCCCCC(=O)O 312.50 unknown via CMAUP database
Palmitic Acid 985 Click to see CCCCCCCCCCCCCCCC(=O)O 256.42 unknown via CMAUP database
Pentadecanoic Acid 13849 Click to see CCCCCCCCCCCCCCC(=O)O 242.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Straight chain fatty acids
Butyric Acid 264 Click to see CCCC(=O)O 88.11 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
(E)-dec-3-en-2-ol 5365770 Click to see CCCCCCC=CC(C)O 156.26 unknown via CMAUP database
3-Decen-2-ol, (Z)- 5365767 Click to see CCCCCCC=CC(C)O 156.26 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols / Long-chain fatty alcohols
Falcarindiol 5281148 Click to see CCCCCCCC=CC(C#CC#CC(C=C)O)O 260.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Fatty aldehydes
9,12-Octadecadienal 5283383 Click to see CCCCCC=CCC=CCCCCCCCC=O 264.40 unknown via CMAUP database
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
(9Z,12Z)-Ethyl octadeca-9,12-dienoate 11001 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC 308.50 unknown via CMAUP database
9,12-Octadecadienoic Acid 3931 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
9,12-Octadecadienoic acid, (E,Z)- 5282798 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
9Z,12E-octadecadienoic acid 5282797 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
Ethyl Linoleate 5282184 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OCC 308.50 unknown via CMAUP database
Linoelaidic acid 5282457 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
Linoleic Acid 5280450 Click to see CCCCCC=CCC=CCCCCCCCC(=O)O 280.40 unknown via CMAUP database
Methyl linoleate 5284421 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown via CMAUP database
Methyl linolelaidate 5362793 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown via CMAUP database
Methyl octadeca-9,12-dienoate 8203 Click to see CCCCCC=CCC=CCCCCCCCC(=O)OC 294.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
2-Methyl-6-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)cyclohexa-2,5-diene-1,4-dione 91726743 Click to see CC1=CC(=O)C=C(C1=O)CC=C(C)CCC=C(C)CCC=C(C)C 326.50 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Acyclic monoterpenoids
(-)-Citronellol 7793 Click to see CC(CCC=C(C)C)CCO 156.26 unknown via CMAUP database
beta-CITRONELLOL, (+/-)- 8842 Click to see CC(CCC=C(C)C)CCO 156.26 unknown via CMAUP database
beta-CITRONELLOL, (R)- 101977 Click to see CC(CCC=C(C)C)CCO 156.26 unknown via CMAUP database
beta-OCIMENE, (3E)- 5281553 Click to see CC(=CCC=C(C)C=C)C 136.23 unknown via CMAUP database
beta-Ocimene, (3Z)- 5320250 Click to see CC(=CCC=C(C)C=C)C 136.23 unknown via CMAUP database
Linalool, (-)- 443158 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Linalool, (+)- 67179 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Linalool, (+/-)- 6549 Click to see CC(=CCCC(C)(C=C)O)C 154.25 unknown via CMAUP database
Myrcene 31253 Click to see CC(=CCCC(=C)C=C)C 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Aromatic monoterpenoids
4-Isopropylbenzyl alcohol 325 Click to see CC(C)C1=CC=C(C=C1)CO 150.22 unknown via CMAUP database
p-CYMENE 7463 Click to see CC1=CC=C(C=C1)C(C)C 134.22 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
(-)-2-Carene 6430755 Click to see CC1=CC2C(C2(C)C)CC1 136.23 unknown via CMAUP database
(-)-3-Carene 442461 Click to see CC1=CCC2C(C1)C2(C)C 136.23 unknown via CMAUP database
(-)-beta-Pinene 440967 Click to see CC1(C2CCC(=C)C1C2)C 136.23 unknown via CMAUP database
(-)-Sabinene 11051711 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown via CMAUP database
(+)-2-Carene 78249 Click to see CC1=CC2C(C2(C)C)CC1 136.23 unknown via CMAUP database
(+)-3-Carene 443156 Click to see CC1=CCC2C(C1)C2(C)C 136.23 unknown via CMAUP database
(+)-4-Carene 71351627 Click to see CC1CC2C(C2(C)C)C=C1 136.23 unknown via CMAUP database
(+)-alpha-Pinene 82227 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown via CMAUP database
(1R,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene 12302456 Click to see CC1=CC2C(C2(C)C)CC1 136.23 unknown via CMAUP database
(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene 12223113 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown via CMAUP database
1,4,5,6,7,7a-Hexahydro-4-methyl-7-(1-methylethyl)-2H-inden-2-one 539806 Click to see CC1CCC(C2C1=CC(=O)C2)C(C)C 192.30 unknown via CMAUP database
2-Carene 79044 Click to see CC1=CC2C(C2(C)C)CC1 136.23 unknown via CMAUP database
3-Carene 26049 Click to see CC1=CCC2C(C1)C2(C)C 136.23 unknown via CMAUP database
alpha-Bergamotene 86608 Click to see CC1=CCC2CC1C2(C)CCC=C(C)C 204.35 unknown via CMAUP database
alpha-PINENE 6654 Click to see CC1=CCC2CC1C2(C)C 136.23 unknown via CMAUP database
beta-Pinene 14896 Click to see CC1(C2CCC(=C)C1C2)C 136.23 unknown via CMAUP database
beta-Thujene 520384 Click to see CC1C=CC2(C1C2)C(C)C 136.23 unknown via CMAUP database
Sabinen 18818 Click to see CC(C)C12CCC(=C)C1C2 136.23 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
(-)-alpha-Terpineol 443162 Click to see CC1=CCC(CC1)C(C)(C)O 154.25 unknown via CMAUP database
(-)-Terpinen-4-ol 5325830 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown via CMAUP database
(+)-alpha-Phellandrene 443160 Click to see CC1=CCC(C=C1)C(C)C 136.23 unknown via CMAUP database
(+)-alpha-Terpineol 442501 Click to see CC1=CCC(CC1)C(C)(C)O 154.25 unknown via CMAUP database
(+)-Terpinen-4-ol 2724161 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown via CMAUP database
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans- 122484 Click to see CC(C)C1CCC(C=C1)(C)O 154.25 unknown via CMAUP database
4-Terpineol, (+/-)- 11230 Click to see CC1=CCC(CC1)(C(C)C)O 154.25 unknown via CMAUP database
alpha-PHELLANDRENE 7460 Click to see CC1=CCC(C=C1)C(C)C 136.23 unknown via CMAUP database
alpha-Terpinene 7462 Click to see CC1=CC=C(CC1)C(C)C 136.23 unknown via CMAUP database
Alpha-Terpineol 17100 Click to see CC1=CCC(CC1)C(C)(C)O 154.25 unknown via CMAUP database
Beta-Phellandrene 11142 Click to see CC(C)C1CCC(=C)C=C1 136.23 unknown via CMAUP database
beta-Terpinene 66841 Click to see CC(C)C1=CCC(=C)CC1 136.23 unknown via CMAUP database
beta-Terpineol 8748 Click to see CC(=C)C1CCC(CC1)(C)O 154.25 unknown via CMAUP database
cis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol 122485 Click to see CC(C)C1CCC(C=C1)(C)O 154.25 unknown via CMAUP database
Limonene, (-)- 439250 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown via CMAUP database
Limonene, (+)- 440917 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown via CMAUP database
Limonene, (+/-)- 22311 Click to see CC1=CCC(CC1)C(=C)C 136.23 unknown via CMAUP database
p-Menth-1-en-3-ol 10282 Click to see CC1=CC(C(CC1)C(C)C)O 154.25 unknown via CMAUP database
p-Mentha-1,3,8-triene 176983 Click to see CC1=CC=C(CC1)C(=C)C 134.22 unknown via CMAUP database
Terpinolene 11463 Click to see CC1=CCC(=C(C)C)CC1 136.23 unknown via CMAUP database
trans-(-)-p-Menth-1-en-3-ol 12314336 Click to see CC1=CC(C(CC1)C(C)C)O 154.25 unknown via CMAUP database
trans-Piperitol 85568 Click to see CC1=CC(C(CC1)C(C)C)O 154.25 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
(-)-alpha-Copaene 442355 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown via CMAUP database
(-)-alpha-Curcumene 442360 Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C 202.33 unknown via CMAUP database
(+)-Thujopsene 11401461 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown via CMAUP database
(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 via CMAUP database
(E)-beta-farnesene 10407 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown via CMAUP database
(E)-Thujopsene 91749973 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown via CMAUP database
1,3-Dimethyl-8-(1-methylethyl)-tricyclo[4.4.0.02,7]dec-3-ene 25245021 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown via CMAUP database
1,6-Dimethyl-4-isopropyltetralin 10224 Click to see CC1CCC(C2=C1C=CC(=C2)C)C(C)C 202.33 unknown via CMAUP database
3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3alpha,3aalpha,8aalpha)]- 6432448 Click to see CC1=CCC2(CCC(C2(CC1)O)C(C)C)C 222.37 unknown via CMAUP database
3aalpha(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3alpha-isopropyl-6,8aalpha-dimethyl-, (+)- 287687 Click to see CC1=CCC2(CCC(C2(CC1)O)C(C)C)C 222.37 unknown via CMAUP database
alpha-Copaene 70678558 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown via CMAUP database
alpha-Curcumene 92139 Click to see CC1=CC=C(C=C1)C(C)CCC=C(C)C 202.33 unknown via CMAUP database
Beta-Bisabolene 10104370 Click to see CC1=CCC(CC1)C(=C)CCC=C(C)C 204.35 unknown via CMAUP database
beta-Farnesene 5281517 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown via CMAUP database
beta-Farnesene, (6Z)- 5317319 Click to see CC(=CCCC(=CCCC(=C)C=C)C)C 204.35 unknown via CMAUP database
beta-Panasinsene 595133 Click to see CC1(CC23C1CCC2(CCCC3=C)C)C 204.35 unknown via CMAUP database
Carotol 442347 Click to see CC1=CCC2(CCC(C2(CC1)O)C(C)C)C 222.37 unknown via CMAUP database
Copaene 12303902 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown via CMAUP database
Copaene 19725 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown via CMAUP database
Copaene, (+)- 636457 Click to see CC1=CCC2C3C1C2(CCC3C(C)C)C 204.35 unknown via CMAUP database
Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, [1aS-(1aalpha,4abeta,8aR*)]- 6432451 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown via CMAUP database
Humulane-1,6-dien-3-ol 5353015 Click to see CC1CC(C=C(CCCC(C=C1)(C)C)C)O 222.37 unknown via CMAUP database
Humulene 5281520 Click to see CC1=CCC(C=CCC(=CCC1)C)(C)C 204.35 unknown via CMAUP database
Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)- 519298 Click to see CC1CCC(C2C1=CCC(=C2)C)C(C)C 204.35 unknown via CMAUP database
Sesquichamene 97829 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown via CMAUP database
Thujopsene 442402 Click to see CC1=CCC2(CCCC(C23C1C3)(C)C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
(+)-Globulol 12304982 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
(1aR,4R,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol 91746597 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol 6432706 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha)]- 6432640 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7bS)- 521243 Click to see CC1CCC2C(C2(C)C)C3=C(CCC13)C 204.35 unknown via CMAUP database
beta-Spathulenol 522266 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
Ent-Spathulenol 13854255 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
epi-Globulol 7308311 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
Epiglobulol 11858788 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
Globulol 12304985 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
Globulol 101716 Click to see CC1CCC2C1C3C(C3(C)C)CCC2(C)O 222.37 unknown via CMAUP database
Spathulenol 92231 Click to see CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C 220.35 unknown via CMAUP database
Viridiflorene 10910653 Click to see CC1CCC2=C(CCC3C(C12)C3(C)C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Cedrane and isocedrane sesquiterpenoids
alpha-Cedrene epoxide 122510 Click to see CC1CCC2C13CC(C2(C)C)C4(C(C3)O4)C 220.35 unknown via CMAUP database
Cedrol 65575 Click to see CC1CCC2C13CCC(C(C3)C2(C)C)(C)O 222.37 unknown via CMAUP database
Diepi-alpha-cedrene epoxide 11074926 Click to see CC1CCC2C13CC(C2(C)C)C4(C(C3)O4)C 220.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Chamigranes
3,7,7-Trimethyl-11-methylidenespiro[5.5]undec-2-ene 29073 Click to see CC1=CCC2(CC1)C(=C)CCCC2(C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Elemane sesquiterpenoids
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel- 10583 Click to see CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene 605019 Click to see CC1=C2CC(CCC2(CCC1)C)C(=C)C 204.35 unknown via CMAUP database
beta-Selinene 442393 Click to see CC(=C)C1CCC2(CCCC(=C)C2C1)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Germacrane sesquiterpenoids
(+)-Germacrene D 24771782 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 74764030 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(1Z,6Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 5373727 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(1Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 92003564 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
(6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 49796490 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
1-Methyl-5-methylene-8-(1-methylethyl)-1,6-cyclodecadiene 6436582 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
Germacrene B 5281519 Click to see CC1=CCCC(=CCC(=C(C)C)CC1)C 204.35 unknown via CMAUP database
Germacrene D 5317570 Click to see CC1=CCCC(=C)C=CC(CC1)C(C)C 204.35 unknown via CMAUP database
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
Augustic Acid 15560128 Click to see CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C 472.70 unknown via CMAUP database
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Pregnane steroids / Gluco/mineralocorticoids, progestogins and derivatives
Pregnenolone 8955 Click to see CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C 316.50 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives
Acetic acid, (Z)- 9904352 Click to see CCN1C(=CC(=O)OCC)SC(C1=O)N2CCCCC2 298.40 unknown via CMAUP database
> Organic acids and derivatives / Carboxylic acids and derivatives / Carboxylic acids
Hydron;acetate 21980959 Click to see [H+].CC(=O)[O-] 60.05 unknown via CMAUP database
> Organic acids and derivatives / Keto acids and derivatives / Beta-keto acids and derivatives
Butanoic acid, 2-(diethoxyphosphinyl)-3-oxo-, ethyl ester 3032451 Click to see CCOC(=O)C(C(=O)C)P(=O)(OCC)OCC 266.23 unknown via CMAUP database
> Organic acids and derivatives / Keto acids and derivatives / Gamma-keto acids and derivatives
methyl (1S,2S,6Z,10S,11S)-6-butylidene-4-oxo-1-pentanoyl-5-oxatetracyclo[9.2.2.02,10.03,7]pentadeca-3(7),12-diene-13-carboxylate 10873344 Click to see CCCCC(=O)C12CCC(C=C1C(=O)OC)C3C2C4=C(CC3)C(=CCCC)OC4=O 412.50 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Quinic acids and derivatives
Chlorogenic Acid 1794427 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown via CMAUP database
cis-Chlorogenic acid 1794425 Click to see C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O 354.31 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Primary alcohols
(S)-3-Ethyl-4-methylpentanol 59911029 Click to see CCC(CCO)C(C)C 130.23 unknown via CMAUP database
p-Mentha-1,4-dien-7-ol 519966 Click to see CC(C)C1=CCC(=CC1)CO 152.23 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Secondary alcohols
(R)-butane-1,3-diol 637497 Click to see CC(CCO)O 90.12 unknown via CMAUP database
(S)-butane-1,3-diol 446973 Click to see CC(CCO)O 90.12 unknown via CMAUP database
1,3-Butanediol 7896 Click to see CC(CCO)O 90.12 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
Eleutheroside B 5316860 Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO 372.40 unknown via CMAUP database
Glucoside,6-dimethoxyphenyl, D 5885030 Click to see COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C=CCO 372.40 unknown via CMAUP database
> 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 via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Alpha-hydrogen aldehydes
Butyraldehyde 261 Click to see CCCC=O 72.11 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Aryl-aldehydes
Furfural 7362 Click to see C1=COC(=C1)C=O 96.08 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Aldehydes / Medium-chain aldehydes
2-Ethyl-2-hexenal 10997035 Click to see CCCC=C(CC)C=O 126.20 unknown via CMAUP database
2-Ethyl-3-propylacrolein 5354264 Click to see CCCC=C(CC)C=O 126.20 unknown via CMAUP database
2,4-Decadienal 5283349 Click to see CCCCCC=CC=CC=O 152.23 unknown via CMAUP database
CID 12582 12582 Click to see CCCC=C(CC)C=O 126.20 unknown via CMAUP database
Deca-2,4-dienal 16899 Click to see CCCCCC=CC=CC=O 152.23 unknown via CMAUP database
Dodecanal 8194 Click to see CCCCCCCCCCCC=O 184.32 unknown via CMAUP database
Hexanal 6184 Click to see CCCCCC=O 100.16 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Ketones
3-Oxobutan-1-olate 53630514 Click to see [CH2+]C(=O)CC[O-] 86.09 unknown via CMAUP database
4-Acetyl-1,4-dimethyl-1-cyclohexene 65289 Click to see CC1=CCC(CC1)(C)C(=O)C 152.23 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
2-Chloro-1-(2,4-dimethylphenyl)-2-methyl-1-propanone 521559 Click to see CC1=CC(=C(C=C1)C(=O)C(C)(C)Cl)C 210.70 unknown via CMAUP database
Isobutyrophenone 69144 Click to see CC(C)C(=O)C1=CC=CC=C1 148.20 unknown via CMAUP database
Valerophenone 66093 Click to see CCCCC(=O)C1=CC=CC=C1 162.23 unknown via CMAUP database
> Organic oxygen compounds / Organooxygen compounds / Ethers / Dialkyl ethers
1-Methoxyadamantane 584854 Click to see COC12CC3CC(C1)CC(C3)C2 166.26 unknown via CMAUP database
> Organoheterocyclic compounds / Benzofurans / Benzofuranones
1(3H)-Isobenzofuranone, 3-butyl-4-hydroxy- 11074544 Click to see CCCCC1C2=C(C=CC=C2O)C(=O)O1 206.24 unknown via CMAUP database
3-hydroxyisobenzofuran-1(3H)-one 3804259 Click to see C1=CC=C2C(=C1)C(OC2=O)O 150.13 unknown via CMAUP database
Butylphthalide 61361 Click to see CCCCC1C2=CC=CC=C2C(=O)O1 190.24 unknown via CMAUP database
> Organoheterocyclic compounds / Benzofurans / Benzofuranones / Phthalic anhydrides
Phthalic anhydride 6811 Click to see C1=CC=C2C(=C1)C(=O)OC2=O 148.11 unknown via CMAUP database
> Organoheterocyclic compounds / Diazines / Pyrazines
2,3,5,6-Tetramethylpyrazine 14296 Click to see CC1=C(N=C(C(=N1)C)C)C 136.19 unknown via CMAUP database
> Organoheterocyclic compounds / Dihydrofurans / Furanones / Butenolides
Levistolide A 70698035 Click to see CCCC=C1C2=C(C3C(CC2)C4CCC35C(=C4)C(=O)OC5=CCCC)C(=O)O1 380.50 unknown via CMAUP database
> Organoheterocyclic compounds / Heteroaromatic compounds
2-Pentylfuran 19602 Click to see CCCCCC1=CC=CO1 138.21 unknown via CMAUP database
> Organoheterocyclic compounds / Imidazopyrimidines / Purines and purine derivatives / Xanthines
Etofylline 1892 Click to see CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO 224.22 unknown via CMAUP database
> Organoheterocyclic compounds / Indoles and derivatives / Hydroxyindoles
5-Hydroxyindole 16054 Click to see C1=CC2=C(C=CN2)C=C1O 133.15 unknown via CMAUP database
> Organoheterocyclic compounds / Isobenzofurans
(3R,6S,7S)-3-Butyl-6,7-dihydroxy-4,5,6,7-tetrahydroisobenzofuran-1(3H)-one 24121290 Click to see CCCCC1C2=C(C(C(CC2)O)O)C(=O)O1 226.27 unknown via CMAUP database
(3Z,6S,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one 5321251 Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1 224.25 unknown via CMAUP database
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one 5877292 Click to see CCCC=C1C2=C(C=CCC2)C(=O)O1 190.24 unknown via CMAUP database
1,4-Cyclohexadiene-1,2-dicarboxylic anhydride 138348 Click to see C1C=CCC2=C1C(=O)OC2=O 150.13 unknown via CMAUP database
3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one 529865 Click to see CCCC=C1C2=C(C=CCC2)C(=O)O1 190.24 unknown via CMAUP database
3-N-Butyl-4,5-dihydrophthalide 173843 Click to see CCCCC1C2=C(C=CCC2)C(=O)O1 192.25 unknown via CMAUP database
Cnidilide 160710 Click to see CCCCC1C2CCC=CC2C(=O)O1 194.27 unknown via CMAUP database
Ligustilide 5319022 Click to see CCCC=C1C2=C(C=CCC2)C(=O)O1 190.24 unknown via CMAUP database
Neocnidilide 3083857 Click to see CCCCC1C2CCCC=C2C(=O)O1 194.27 unknown via CMAUP database
Riligustilide 6442656 Click to see CCCC=C1C2=C(C3C(CC2)C(C34C5=C(C=CCC5)C(=O)O4)CCC)C(=O)O1 380.50 unknown via CMAUP database
Sedanolide 5018391 Click to see CCCCC1C2CCCC=C2C(=O)O1 194.27 unknown via CMAUP database
Senkyunolide A 3085257 Click to see CCCCC1C2=C(C=CCC2)C(=O)O1 192.25 unknown via CMAUP database
Senkyunolide F 11241196 Click to see CCC(C=C1C2=C(C=CCC2)C(=O)O1)O 206.24 unknown via CMAUP database
Senkyunolide I 11521428 Click to see CCCC=C1C2=C(C(C(CC2)O)O)C(=O)O1 224.25 unknown via CMAUP database
Tokinolide B 11090206 Click to see CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=C(C=CCC5)C(=O)O4)CCC 380.50 unknown via CMAUP database
> Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones
(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one 642373 Click to see CCCC=C1C2=C(C=CC=C2O)C(=O)O1 204.22 unknown via CMAUP database
1(3H)-Isobenzofuranone, 3-butylidene- 62368 Click to see CCCC=C1C2=CC=CC=C2C(=O)O1 188.22 unknown via CMAUP database
Butylidenephthalide 642376 Click to see CCCC=C1C2=CC=CC=C2C(=O)O1 188.22 unknown via CMAUP database
Butylidenephthalide 5352899 Click to see CCCC=C1C2=CC=CC=C2C(=O)O1 188.22 unknown via CMAUP database
> Organoheterocyclic compounds / Isocoumarans / Isobenzofuranones / Phthalides
Phthalide 6885 Click to see C1C2=CC=CC=C2C(=O)O1 134.13 unknown via CMAUP database
> Organoheterocyclic compounds / Lactones / Gamma butyrolactones
(1R,2R,6Z,10R,16S)-16-butyl-6-butylidene-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione 101932786 Click to see CCCCC1C23CCC(C=C2C(=O)O1)C4C3C5=C(CC4)C(=CCCC)OC5=O 382.50 unknown via CMAUP database
Senkyunolide P 91731751 Click to see CCCCC1C23CCC(C=C2C(=O)O1)C4C3C5=C(CC4)C(=CCCC)OC5=O 382.50 unknown via CMAUP database
> Organosulfur compounds / Isothiocyanates
(2R)-2-isothiocyanatobutane 5399110 Click to see CCC(C)N=C=S 115.20 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
Coniferyl ferulate 6441913 Click to see COC1=C(C=CC(=C1)C=CCOC(=O)C=CC2=CC(=C(C=C2)O)OC)O 356.40 unknown via CMAUP database
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
Caffeic Acid 689043 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown via CMAUP database
cis-Caffeic acid 1549111 Click to see C1=CC(=C(C=C1C=CC(=O)O)O)O 180.16 unknown via CMAUP database
Ferulic acid 445858 Click to see COC1=C(C=CC(=C1)C=CC(=O)O)O 194.18 unknown via CMAUP database
> 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 via CMAUP database
> 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
> 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 via CMAUP database
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-3-O-glycosides
4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy- 5492077 Click to see COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O 508.40 unknown via CMAUP database
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 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 via CMAUP database
> Phenylpropanoids and polyketides / Stilbenes
alpha-(Trimethylsilyl)stilbene 5372072 Click to see C[Si](C)(C)C(=CC1=CC=CC=C1)C2=CC=CC=C2 252.42 unknown via CMAUP database

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