> Benzenoids / Phenol ethers / Anisoles
|
Estragole
|
8815 |
Click to see
COC1=CC=C(C=C1)CC=C
|
148.20 |
unknown |
via CMAUP database |
> Lignans, neolignans and related compounds / Furanoid lignans / Tetrahydrofuran lignans / 9,9-epoxylignans / Dibenzylbutyrolactone lignans
|
(+)-Nortrachelogenin
|
479756 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O
|
374.40 |
unknown |
via CMAUP database |
3-Hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
|
321311 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O
|
374.40 |
unknown |
via CMAUP database |
Nortrachelogenin
|
394846 |
Click to see
COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O
|
374.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
(1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
|
92166187 |
Click to see
CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)O)C
|
302.50 |
unknown |
via CMAUP database |
Abietic acid
|
10569 |
Click to see
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C
|
302.50 |
unknown |
via CMAUP database |
Dehydroabietic acid
|
94391 |
Click to see
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
|
300.40 |
unknown |
via CMAUP database |
Dextropimarinal
|
12304198 |
Click to see
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C=O)C)C=C
|
286.50 |
unknown |
via CMAUP database |
Isopimara-7,15-dienal
|
12311183 |
Click to see
CC1(CCC2C(=CCC3C2(CCCC3(C)C=O)C)C1)C=C
|
286.50 |
unknown |
via CMAUP database |
Isopimaric Acid
|
442048 |
Click to see
CC1(CCC2C(=CCC3C2(CCCC3(C)C(=O)O)C)C1)C=C
|
302.50 |
unknown |
via CMAUP database |
Levopimaric acid
|
221062 |
Click to see
CC(C)C1=CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C
|
302.50 |
unknown |
via CMAUP database |
Neoabietic acid
|
221118 |
Click to see
CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C
|
302.50 |
unknown |
via CMAUP database |
Palustric acid
|
443613 |
Click to see
CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)O)C
|
302.50 |
unknown |
via CMAUP database |
Pimaric acid
|
220338 |
Click to see
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C
|
302.50 |
unknown |
via CMAUP database |
Retene
|
10222 |
Click to see
CC1=C2C=CC3=C(C2=CC=C1)C=CC(=C3)C(C)C
|
234.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Bicyclic monoterpenoids
|
alpha-Fenchol
|
439711 |
Click to see
CC1(C2CCC(C2)(C1O)C)C
|
154.25 |
unknown |
via CMAUP database |
Borneol
|
6552009 |
Click to see
CC1(C2CCC1(C(C2)O)C)C
|
154.25 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(+)-alpha-Terpineol
|
442501 |
Click to see
CC1=CCC(CC1)C(C)(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 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(+)-Longifolene
|
1796220 |
Click to see
CC1(CCCC2(C3C1C(C2=C)CC3)C)C
|
204.35 |
unknown |
via CMAUP database |
(1R,6S)-6-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-ol
|
162956244 |
Click to see
CC1=CC(C(CC1)C(C)CCC=C(C)CO)O
|
238.37 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
(E,6R)-6-[(1S,2R)-2-hydroxy-4-methylcyclohex-3-en-1-yl]-2-methylhept-2-enal
|
162891245 |
Click to see
CC1=CC(C(CC1)C(C)CCC=C(C)C=O)O
|
236.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[(E,6R)-6-[(1S,2R)-2-hydroxy-4-methylcyclohex-3-en-1-yl]-2-methylhept-2-enyl] acetate
|
162956583 |
Click to see
CC1=CC(C(CC1)C(C)CCC=C(C)COC(=O)C)O
|
280.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[(E,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-enyl] acetate
|
163042557 |
Click to see
CC(CCC=C(C)COC(=O)C)C1CCC(C=C1)(C)O
|
280.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[6-(2-Hydroxy-4-methylcyclohex-3-en-1-yl)-2-methylhept-2-enyl] acetate
|
162956582 |
Click to see
CC1=CC(C(CC1)C(C)CCC=C(C)COC(=O)C)O
|
280.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[6-(4-Hydroxy-4-methylcyclohex-2-en-1-yl)-2-methylhept-2-enyl] acetate
|
163042556 |
Click to see
CC(CCC=C(C)COC(=O)C)C1CCC(C=C1)(C)O
|
280.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
6-(2-Hydroxy-4-methylcyclohex-3-en-1-yl)-2-methylhept-2-enal
|
85636873 |
Click to see
CC1=CC(C(CC1)C(C)CCC=C(C)C=O)O
|
236.35 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
6-(7-Hydroxy-6-methylhept-5-en-2-yl)-3-methylcyclohex-2-en-1-ol
|
85636871 |
Click to see
CC1=CC(C(CC1)C(C)CCC=C(C)CO)O
|
238.37 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Germacranolides and derivatives
|
Salonitenolide
|
5281498 |
Click to see
CC1=CCCC(=CC2C(C(C1)O)C(=C)C(=O)O2)CO
|
264.32 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Guaianolides and derivatives
|
(4-Hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl) acetate
|
85127064 |
Click to see
CC(=O)OC1CC2C(C1=C)C3C(C(CC2=C)O)C(=C)C(=O)O3
|
304.34 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
(7,8-Dihydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) 2-methylprop-2-enoate
|
162922039 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2C(C3C1C(=C)C(=O)O3)C(=C)C(C2O)O
|
346.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
(8-Hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl) 2-methylpropanoate
|
162897163 |
Click to see
CC(C)C(=O)OC1CC(=C)C2CC(C3(C2C4C1C(=C)C(=O)O4)CO3)O
|
348.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
(8-Hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) 2-methylprop-2-enoate
|
13996678 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O
|
330.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
(8-Hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) 2-methylpropanoate
|
4273700 |
Click to see
CC(C)C(=O)OC1CC(=C)C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O
|
332.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[(3aR,4S,6aR,8S,9aR,9bR)-4-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] acetate
|
101036702 |
Click to see
CC(=O)OC1CC2C(C1=C)C3C(C(CC2=C)O)C(=C)C(=O)O3
|
304.34 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate
|
13996677 |
Click to see
CC(C)C(=O)OC1CC(=C)C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O
|
332.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[(3aR,4S,6aR,8S,9R,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] 2-methylpropanoate
|
162897164 |
Click to see
CC(C)C(=O)OC1CC(=C)C2CC(C3(C2C4C1C(=C)C(=O)O4)CO3)O
|
348.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[(3aR,4S,6aR,8S,9R,9aS,9bS)-8,9-dihydroxy-9-(hydroxymethyl)-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate
|
163018582 |
Click to see
CC(C)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CO)O)O
|
366.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[(4S,8R,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
|
145994503 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O
|
382.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[8,9-Dihydroxy-9-(hydroxymethyl)-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
|
14021488 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CO)O)O
|
364.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
[8,9-Dihydroxy-9-(hydroxymethyl)-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate
|
163018581 |
Click to see
CC(C)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CO)O)O
|
366.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
19-Deoxy-15-chlorojanerin
|
327915 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O
|
382.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
Aguerin A
|
354589 |
Click to see
CC(C)C(=O)OC1CC(=C)C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O
|
332.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
Aguerin B
|
155102 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2CC(C(=C)C2C3C1C(=C)C(=O)O3)O
|
330.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
Deacylcynaropicrin
|
3084544 |
Click to see
C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)O
|
262.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
Deacylcynaropicrin
|
71586749 |
Click to see
C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)O
|
262.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
Desacylcynaropicrin
|
13943205 |
Click to see
C=C1CC(C2C(C3C1CC(C3=C)O)OC(=O)C2=C)O
|
262.30 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
Gnaphaloide
|
14021489 |
Click to see
CC(=C)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CO)O)O
|
364.40 |
unknown |
https://doi.org/10.1016/S0031-9422(00)95002-7 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
Ursolic Acid
|
64945 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
|
456.70 |
unknown |
https://doi.org/10.1055/S-0028-1097546 |
Virgatic acid
|
14489125 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
|
470.70 |
unknown |
https://doi.org/10.1055/S-0028-1097546 |
> 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/10.1055/S-0028-1097546 |
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1055/S-0028-1097546 |
> Organic oxygen compounds / Organooxygen compounds / Alcohols and polyols / Cyclitols and derivatives / Shikimic acids and derivatves
|
Shikimic acid
|
8742 |
Click to see
C1C(C(C(C=C1C(=O)O)O)O)O
|
174.15 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
(2R,3S,4S)-4-benzylsulfanyl-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
10372558 |
Click to see
C1=CC=C(C=C1)CSC2C(C(OC3=C(C(=CC(=C23)O)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)C7=CC(=C(C=C7)O)O)O
|
700.70 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
(4S)-Epicatechin benzylthioether
|
10645351 |
Click to see
C1=CC=C(C=C1)CSC2C(C(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C=C4)O)O)O
|
412.50 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones / Flavanonols
|
Pinobanksin
|
73202 |
Click to see
C1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
|
272.25 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Stilbenes
|
3,5-Dimethoxystilbene
|
5316874 |
Click to see
COC1=CC(=CC(=C1)C=CC2=CC=CC=C2)OC
|
240.30 |
unknown |
via CMAUP database |
Pinosylvin methyl ether
|
5281719 |
Click to see
COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2
|
226.27 |
unknown |
via CMAUP database |