> 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 / Tetralins
|
(4S)-10-Nor-calamenen-10-one
|
73350586 |
Click to see
CC1=CC2=C(C=C1)C(=O)CCC2C(C)C
|
202.29 |
unknown |
via CMAUP database |
Oxyphyllenotriol A
|
51041015 |
Click to see
CC(C)C1=C2C(C(CCC2=C(C=C1)O)(C)O)O
|
236.31 |
unknown |
via CMAUP database |
Oxyphyllone G
|
51041016 |
Click to see
CC1=C(C2=C(C=C1)C(=O)CCC2C(C)C)O
|
218.29 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Oleic Acid
|
445639 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)O
|
282.50 |
unknown |
via CMAUP database |
Palmitoleic Acid
|
445638 |
Click to see
CCCCCCC=CCCCCCCCC(=O)O
|
254.41 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Very long-chain fatty acids
|
Lignoceric Acid
|
11197 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
|
368.60 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
Linolenic Acid
|
5280934 |
Click to see
CCC=CCC=CCC=CCCCCCCCC(=O)O
|
278.40 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
Labda-8(17),12-diene-15,16-dial
|
11077520 |
Click to see
CC1(CCCC2(C1CCC(=C)C2CC=C(CC=O)C=O)C)C
|
302.50 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Monoterpenoids / Menthane monoterpenoids
|
(1r,2r)-p-Menth-3-en-1,2-diol
|
71423340 |
Click to see
CC(C)C1=CC(C(CC1)(C)O)O
|
170.25 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
(1aR,4aR,7R,8aR)-7-hydroxy-1a,4a-dimethyl-7-prop-1-en-2-yl-4,5,6,8-tetrahydro-3H-naphtho[1,8a-b]oxiren-2-one
|
51041018 |
Click to see
CC(=C)C1(CCC2(CCC(=O)C3(C2(C1)O3)C)C)O
|
250.33 |
unknown |
via CMAUP database |
(1R,2R,3R,6S,7S)-1-hydroxy-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undec-9-en-8-one
|
76285513 |
Click to see
CC1CCC2C1C3(C(=CC(=O)C2(O3)C)C(C)C)O
|
250.33 |
unknown |
via CMAUP database |
Oxyphyllanene D
|
57396910 |
Click to see
CC(=C)C1(CCC2(CCC(=O)C3(C2(C1)O3)C)C)O
|
250.33 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
|
(11S)-Nootkatone-11,12-diol
|
15601439 |
Click to see
CC1CC(=O)C=C2C1(CC(CC2)C(C)(CO)O)C
|
252.35 |
unknown |
via CMAUP database |
(1S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-ol
|
44576208 |
Click to see
CC1CCC(C2=CCC(CC12C)C(=C)C)O
|
220.35 |
unknown |
via CMAUP database |
(3S,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione
|
72715093 |
Click to see
CC1CC(=O)C=C2C1(CC(CC2=O)C(=C)C)C
|
232.32 |
unknown |
via CMAUP database |
(4R,4aR)-6-acetyl-4,4a-dimethyl-3,4,7,8-tetrahydronaphthalen-2-one
|
117654813 |
Click to see
CC1CC(=O)C=C2C1(C=C(CC2)C(=O)C)C
|
218.29 |
unknown |
via CMAUP database |
(4R,4aS,6R)-6-(2-hydroxypropan-2-yl)-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
|
89960876 |
Click to see
CC1CC(=O)C=C2C1(CC(CC2)C(C)(C)O)C
|
236.35 |
unknown |
via CMAUP database |
(4R,4aS,6R)-6-(3-hydroxyprop-1-en-2-yl)-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
|
53249021 |
Click to see
CC1CC(=O)C=C2C1(CC(CC2)C(=C)CO)C
|
234.33 |
unknown |
via CMAUP database |
(4R,4aS,6S,8S)-8-hydroxy-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
|
11651584 |
Click to see
CC1CC(=O)C=C2C1(CC(CC2O)C(=C)C)C
|
234.33 |
unknown |
via CMAUP database |
Nootkatene
|
25200342 |
Click to see
CC1CC=CC2=CCC(CC12C)C(=C)C
|
202.33 |
unknown |
via CMAUP database |
Nootkatol
|
182645 |
Click to see
CC1CC(C=C2C1(CC(CC2)C(=C)C)C)O
|
220.35 |
unknown |
via CMAUP database |
Nootkatone
|
1268142 |
Click to see
CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
|
218.33 |
unknown |
via CMAUP database |
oxyphyllol C
|
10857540 |
Click to see
CC1CCC(C2(C1(CC(CC2)C(=C)C)C)O)O
|
238.37 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
|
(1R,4aR,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
|
15560338 |
Click to see
CC(=C)C1CCC2(CCCC(C2C1)(C)O)C
|
222.37 |
unknown |
via CMAUP database |
(2R,4aS,7R,8aR)-4a-Methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalen-2-ol
|
14076604 |
Click to see
CC(=C)C1CCC2(CCC(C(=C)C2C1)O)C
|
220.35 |
unknown |
via CMAUP database |
(4aS,7S,8R)-8-hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
|
57393410 |
Click to see
CC1=C2C(C(CCC2(CCC1=O)C)C(=C)C)O
|
234.33 |
unknown |
via CMAUP database |
(4aS,7S)-7-hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-4,5,6,8-tetrahydro-3H-naphthalen-2-one
|
57335617 |
Click to see
CC1=C2CC(CCC2(CCC1=O)C)(C(=C)C)O
|
234.33 |
unknown |
via CMAUP database |
7-Epi-Teucrenone B
|
57393409 |
Click to see
CC1=CC(=O)CC2(C1CC(CC2)(C(=C)C)O)C
|
234.33 |
unknown |
via CMAUP database |
Ligucyperonol
|
14681770 |
Click to see
CC1=C2CC(CCC2(C(CC1=O)O)C)C(=C)C
|
234.33 |
unknown |
via CMAUP database |
Oxyphyllol A
|
637451 |
Click to see
CC(=C)C1CCC2(CCCC(C2=C1)(C)O)C
|
220.35 |
unknown |
via CMAUP database |
Rel-Oxyphyllanene E
|
57400339 |
Click to see
CC(=C)C1(CCC2(CCC(C(=C)C2C1)O)C)O
|
236.35 |
unknown |
via CMAUP database |
Teucrenone
|
10105443 |
Click to see
CC1=CC(=O)CC2(C1CC(CC2)(C(=C)C)O)C
|
234.33 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Terpene lactones / Sesquiterpene lactones / Eudesmanolides, secoeudesmanolides, and derivatives
|
(4aS,8aR,9aR)-3,5,8a-trimethyl-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,7-dione
|
71681246 |
Click to see
CC1=CC(=O)CC2(C1CC3=C(C(=O)OC3C2)C)C
|
246.30 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
(8R,10R,12R,13R,17R)-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,12,17-triol
|
5315256 |
Click to see
CC(=CCCC(C)(C1(CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)O)C
|
476.70 |
unknown |
https://doi.org/10.1021/JF011127Q |
beta-Sitosteryl palmitate
|
9852570 |
Click to see
CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(CC)C(C)C)C)C
|
653.10 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
via CMAUP database |
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 |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones
|
Pubescone
|
102054514 |
Click to see
CC(C)C1C2C(C2CCC(=O)C)CCC1=O
|
222.32 |
unknown |
via CMAUP database |
Spiro[4.4]nonan-2-one
|
549163 |
Click to see
C1CCC2(C1)CCC(=O)C2
|
138.21 |
unknown |
via CMAUP database |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Cyclic ketones / Cyclohexenones
|
(1aR,7R,7bS)-1a-methyl-7-propan-2-yl-2,3,5,6,7,7b-hexahydronaphtho[1,2-b]oxiren-4-one
|
44255203 |
Click to see
CC(C)C1CCC(=O)C2=C1C3C(O3)(CC2)C
|
220.31 |
unknown |
via CMAUP database |
(4aR,6S,8aS)-6-acetyl-4a-hydroxy-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
|
71681103 |
Click to see
CC1=CC(=O)CC2(C1(CC(CC2)C(=O)C)O)C
|
236.31 |
unknown |
via CMAUP database |
(4aR)-7-acetyl-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one
|
71681245 |
Click to see
CC1=C2C=C(CCC2(CCC1=O)C)C(=O)C
|
218.29 |
unknown |
via CMAUP database |
(4aS,8aR)-4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione
|
122402647 |
Click to see
CC1=CC(=O)CC2(C1CC(=O)CC2)C
|
192.25 |
unknown |
via CMAUP database |
4-Hydroxy-11,12,13-trinor-5-eudesmen-7-one
|
15153217 |
Click to see
CC12CCCC(C1=CC(=O)CC2)(C)O
|
194.27 |
unknown |
via CMAUP database |
Oxyphyllenodiol A
|
10082923 |
Click to see
CC(C)C1CCC(=O)C2=C1C(C(CC2)(C)O)O
|
238.32 |
unknown |
via CMAUP database |
Oxyphyllenodiol B
|
5279294 |
Click to see
CC(C)C1CCC(=O)C2=C1C(C(CC2)(C)O)O
|
238.32 |
unknown |
via CMAUP database |
Oxyphyllenone A
|
10262534 |
Click to see
CC12CCC(C(C1=CC(=O)CC2)(C)O)O
|
210.27 |
unknown |
via CMAUP database |
Oxyphyllenone B
|
44310512 |
Click to see
CC12CCC(C(C1=CC(=O)CC2)(C)O)O
|
210.27 |
unknown |
via CMAUP database |
Teuhetenone A
|
15153216 |
Click to see
CC12CCCC(C1=CC(=O)CC2)(C)O
|
194.27 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Epoxides
|
(1S,4S,6S,8E,12S)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
|
12014673 |
Click to see
CC1(CC2C(O2)(CCC3C(O3)(CC=C1)C)C)C
|
236.35 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Oxepanes
|
Oxyphyllanene C
|
57335616 |
Click to see
CC1=C2C3C(O3)(CCC2(CCC1=O)C)C(=O)C
|
234.29 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Diarylheptanoids / Linear diarylheptanoids
|
(1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one
|
6440365 |
Click to see
COC1=C(C=CC(=C1)C=CC(=O)CCCCC2=CC=CC=C2)O
|
310.40 |
unknown |
via CMAUP database |
1-(2,4-Dihydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)heptan-3-one
|
72708396 |
Click to see
COC1=CC=C(C=C1)CCCCC(=O)CCC2=C(C(=C(C=C2)O)OC)O
|
358.40 |
unknown |
via CMAUP database |
1-(3,5-Dihydroxy-4-methoxyphenyl)-7-phenylheptan-3-one
|
72708395 |
Click to see
COC1=C(C=C(C=C1O)CCC(=O)CCCCC2=CC=CC=C2)O
|
328.40 |
unknown |
via CMAUP database |
Yakuchinone-A
|
133145 |
Click to see
COC1=C(C=CC(=C1)CCC(=O)CCCCC2=CC=CC=C2)O
|
312.40 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
Pinocembrin
|
68071 |
Click to see
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
|
256.25 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
Chrysin
|
5281607 |
Click to see
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
|
254.24 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / Flavones / Flavonols
|
3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
|
5378823 |
Click to see
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O
|
314.29 |
unknown |
via CMAUP database |
Izalpinin
|
5318691 |
Click to see
COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC=CC=C3)O
|
284.26 |
unknown |
via CMAUP database |
Kaempferide
|
5281666 |
Click to see
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
|
300.26 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 7-O-methylated flavonoids
|
Tectochrysin
|
5281954 |
Click to see
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O
|
268.26 |
unknown |
via CMAUP database |