Exact Mass: 252.2089
Exact Mass Matches: 252.2089
Found 500 metabolites which its exact mass value is equals to given mass value 252.2089,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Hydnocarpic acid
An optically active form of hydnocarpic acid having (R)-configuration. A cyclopentenyl fatty acid consisting of undecanoic acid having a cyclopent-2-enyl group at the 11-position.
(Z)-7-Hexadecen-1,16-olide
Once used in fruit flavouring; its use has been discontinued due to its toxic natur
Ethyl (Z,Z)-5,8-tetradecadienoate
Ethyl (Z,Z)-5,8-tetradecadienoate is found in pomes. Ethyl (Z,Z)-5,8-tetradecadienoate is a constituent of pear volatiles. Constituent of pear volatiles. Ethyl (Z,Z)-5,8-tetradecadienoate is found in pomes.
Hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid is a conjugated dienoic fatty acid metabolite of conjugated linoleic acid (CLA). CLAs are a naturally occurring group of positional and geometric isomers of linoleic acid, with potential beneficial effects on atherosclerosis, carcinogenesis or obesity in human. Although the molecular mechanisms are largely unknown, it has been proposed that the anti-atherogenic actions comprise reduction of membrane-bound arachidonic acid and peroxisome proliferator-activated receptor (PPAR)-γ-dependent inhibition of Nuclear Factor kappa B (NF-κB) activation and subsequently reduced prostanoid release. (PMID 16275160).
Geranyl hexanoate
Geranyl hexanoate is found in citrus. Geranyl hexanoate is found in kumquat peel and palmarosa oils, also in purple passion fruit and pawpaw. Geranyl hexanoate is a flavouring agent Found in kumquat peel and palmarosa oils, also in purple passion fruit and pawpaw. Flavouring agent
Linalyl hexanoate
Linalyl hexanoate is a food flavorant Linalyl hexanoate is a food flavoran
Isoambrettolide
Isoambrettolide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
D6-Ambrettolide
D6-Ambrettolide is a flavouring ingredient. Flavouring ingredient
Geranyl 2-ethylbutyrate
Geranyl 2-ethylbutyrate is a flavouring ingredient. Flavouring ingredient
Hexadecadienoic acid
Hexadecadienoic acid, also known as hexadecadienoate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Hexadecadienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Hexadecadienoic acid can be found in black walnut and dandelion, which makes hexadecadienoic acid a potential biomarker for the consumption of these food products.
Octahydro-1-(1-methoxy-2-methylpropyl)-3a-methyl-7-methylene-1H-inden-4-ol
(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
10alpha-hydroxy-4alpha-methoxyguai-6-ene|4alpha-methoxy-6-guaien-10alpha-ol
4alpha-hydroxy-10alpha-methoxy-1beta-H,5beta-H-guaian-6-ene
octahydro-4-hydroxy-3alpha-methyl-7-methylene-alpha-(1-methylethyl)-1H-indene-1-methanol
4alpha-hydroxy-10beta-methoxy-1beta-H,5beta-H-aromadendrane
1beta,11-dihydroxy-7alphaH-eudesma-4-ene-3-one|anhuienosol
8,9-seco-4beta-hydroxy-1alpha,5betaH-7(11)-guaen-8,10-olide
(1S,6S)-1alpha,10-dihydroxy-biasbol-2,11-dienes-4-one
7,13-dihydroxy-3,4-dihydro-alpha-ylang-5-one|dendronephthol A
7beta,8alpha-dihydroxy-1alpha, 4alphaH-guai-10(15)-en-5beta,8beta-endoxide
6-hydroxy-8,11,11-trimethyl-bicyclo[7.2.0]undec-4-ene-4-carboxylic acid
(-)-8S,9S-dihydro-3beta-hydroxyconfertifolin|3beta-hydroxydihydroconfertifolin
(6S*,7S*,10R*)-3(R*)-hydroxy-2,6,10-trimethyl-7,10-epoxydodeca-1,11-dien-5-one
(1beta,4alpha,5beta,6alpha,7beta,10alpha)-6,10-Epidioxy-8-guaien-7-ol|aokumanol
Formic acid, 7-hydroxymethyl-4-isopropyl-1-methyl-bicyclo[3.2.1]oct-6-en-8-ylmethyl ester
(4aS,10aS,10bR)-7,7,10a-trimethyl-4a-hydroxy-trans-perhydronaphtho<2,1-c>pyran
1beta,5,12-trihydroxygermacra-1(10),4(15),11(13)-triene
(1alpha,6alpha,7beta,10beta)-6,11-dihydroxy-4-guaien-3-one
(1R*,5R*,7S*,9S*,10S*)-5,9-dihydroxy-1(10)-epoxygermacra-4(15),11(13)-diene
1alpha,10alpha-Epoxy-5beta-hydroperoxy-4(15)-lepidozene
(2beta,3alpha,4beta,6beta)-2,3-dihydroxycadin-1(10)-en-5-one|(2S,3S,4S,8S,8aS)-3,4,6,7,8,8a-hexahydro-3,4-dihydroxy-2,5-dimethyl-8-(1-methylethyl)naphthalen-1(2H)-one
6,7-Dihydro-7-(1-hydroxy-1-methylethyl)-4-(4-methyl-3-pentenyl)oxepin-2(5H)-one
(2R,5S,8S)-3,4,5,6,7,8-hexahydro-2,5-dihydroxy-2,5-dimethyl-8-(1-methylethyl)naphthalen-1(2H)-one|(4alpha,10beta)-4,10-dihydroxycadin-1(6)-en-5-one
11-Hydroxy-4-amorphen-15-oic acid|fabiaimbricatan 15-oic acid
(+)-(1S,2R,6S,9R)-1-hydroxy-2-(1-hydroxyethyl)-6-isopropyl-9-methylbicyclo[4.3.0]non-4-en-3-one
2alpha-2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid
(4E,10alpha)-10,14-Dihydroxy-4,11-germacradien-1-one|10alpha,14-dihydroxygermacra-4,11(13)-dien-1-one
5-alpha-hydroxy-4alpha,15-dihydrocostic acid|5alpha-hydroxy-4alpha,14-dihydrocostic acid|5alpha-Hydroxy-4alpha,15-dihydrocostic acid
(3aS,9aS,9bR)-6,6,9a-trimethyl-3a-hydroxymethyl-trans-perhydronaphtho<2,1-b>furan
tsangane F (2beta,4beta-epidioxy-allohimachal-3(15)-en-6alpha-ol)
(1beta,7beta,10beta)-1,11-dihydroxy-4-guaien-3-one
(E)-6alpha,11-dihydroxy-7alphaH-germacra-4,10(14)-dien-1-one
(5E)-7-isopropyl-4-methylene-10-oxo-undec-5-enoic acid|tricinonoic acid
1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-6-[1-(hydroxymethyl)ethenyl]-4,4a-dimethyl-, (1.alpha.,3.beta.,4.beta.,4a.alpha.,6.alpha.)-
Pentanoic acid, 4-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
Phaeocaulisin E
Phaeocaulisin E is a natural product found in Curcuma phaeocaulis with data available.
MLS000876786-01!(4R,4aS,8aS)-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
2-(8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
(E)-7-methylidene-10-oxo-4-propan-2-ylundec-5-enoic acid
C15H24O3_2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid
C15H24O3_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-6-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl
C15H24O3_1,2,4-Metheno-1H-indene-1,5-dimethanol, octahydro-3-hydroxy-alpha~5~,alpha~5~,7a-trimethyl
C15H24O3_2-Pentenoic acid, 5-(3-hydroxy-2,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-methyl-, (2E)
C15H24O3_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-, (4R,4aS,8aS)
3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
(4R,4aS,8aS)-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
2-Methoxy-5 (6)Epoxy-Tetrahydrocaryophyllene_major
2-Methoxy-5 (6)Epoxy-Tetrahydrocaryophyllene_minor
3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one_major
(1S,6R)-6-hydroxy-2,2-dimethyltetrahydrospiro[cyclopentane-1,1-pyrrolizin]-7(7aH)-one O-methyl oxime
N-(Morpholinomethyl)nicotinamide
(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one
Apotrichodiol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
6alpha-Carissanol
Ansamitocin P3
Hydroxypelenolide
2,3-Dihydroabscisic alcohol
6-(7-Methyloctyl)-4,6-dihydro-1H,3H-furo[3,4-c]furan-1-one
Thujasutchin N
trans-4-Propyl-(1,1-bicyclohexyl)-4-carboxylic acid
Cioteronel
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
Benzene,1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)methyl]-
(4,4-DIETHOXY-BUTYL)-(4-METHYL-PYRIDIN-2-YL)-AMINE
3-(2,6-DIMETHYLHEPTYL)-2-HYDROXY-4,4-DIMETHYLCYCLOPENT-2-ENONE
Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,hydrate (2:1)
2-[(2S)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4- carboxamide hydrochloride (1:2)
octahydro-2,6-dimethyl-3,8:4,7-dimethano-2,6-naphthyridine-4,8-dimethanol
2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is found in potato. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is a constituent of potatoes infected with Phoma exigua. Constituent of potatoes infected with Phoma exigua. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one is found in potato.
6-Hydroxy-4-(hydroxymethyl)-3,4A,8,8-tetramethyl-5,6,7,8A-tetrahydro-4H-naphthalen-1-one
4-Hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]decane-3,9-dione
(4R)-4-[(1R)-2-hydroxy-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-6-ol
(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid
(9Z,12E)-hexadecadienoic acid
A hexadecadienoic acid having two double bonds located at positions 9 and 12 (the 9Z,12E-geoisomer).
Elongatol E
A sesquiterpenoid that is 1,2,3a,4,5,5a,8,9,9a,9b-decahydronaphtho[2,1-b]furan substituted by methyl groups at positions 1, 9 and 9a and hydroxy groups at positions 2 and 5a. Isolated from methylene chloride solubles of the Formosan soft coral Nephthea elongata, it exhibits cytotoxicity against selected cancer cells.
(1R,2R,3S,5Z,9S)-3-hydroxy-2-(hydroxymethyl)-6,10,10-trimethylbicyclo[7.2.0]undec-5-en-4-one
2-(Hydroxymethyl)-8-(2-hydroxypropan-2-yl)-1-methyltetracyclo[4.4.0.02,4.03,7]decan-5-ol
Elongatol A
A sesquiterpenoid that is 1,2,3a,4,5,7,8,9,9a,9b-decahydronaphtho[2,1-b]furan substituted by methyl groups at positions 1, 9 and 9a and hydroxy groups at positions 2 and 7. Isolated from methylene chloride solubles of the Formosan soft coral Nephthea elongata, it exhibits cytotoxicity against selected cancer cells.
N2-tert-butyl-N6-ethyl-N4-propan-2-yl-1,3,5-triazine-2,4,6-triamine
3-oxo-15-hydroxy-T-muurolol
A natural product found in Aglaia foveolata.
(E)-7-methylidene-10-oxo-4-propan-2-ylundec-5-enoic acid
3-(7-methyloctyl)-3,6-dihydro-1H-uro[3,4-c]uran-4-one
(3R,5S,6S,7S,8R,10R)-10-(1-hydroxypropan-2-yl)-3,7-dimethyltetracyclo[4.4.0.02,4.03,7]decane-5,8-diol
3-Ethoxy-6-(1-hydroxy-5-methyl-4-hexenyl)-2-cyclohexen-1-one
2,2,5,5-Tetramethyl-3-(trimethylsilylmethyl)-3-vinylcyclopentanone
[(1R,5S,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylprop-2-enoate
(5R)-5-(Tert-butyldimethylsiloxy)-2-methyl-1-octen-7-yne
2,2,7,7-Tetramethyl-4-(trimethylsilylmethyl)cyclohept-4-enone
11beta-Hydroxymethyl-2alpha-methoxy-5beta,7,7-trimethyl-8alpha-tricyclo(6.3.0.0(1,5))undecane
(1S,4S)-8-(hydroxymethyl)-4,11,11-trimethylbicyclo[7.2.0]undeca-5,7-diene-1,4-diol
3-hydroxylubimin
A vetispirane sesquiterpenoid that is lubimin substituted by a hydroxy group at position 3.
(9Z,12Z)-hexadecadienoic acid
A hexadecadienoic acid in which the two double bonds are located at positions 9 and 12 (the 9Z,12Z-isomer).
2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid
(7Z,10Z)-hexadecadienoic acid
A hexadecadienoic acid having two double bonds located at positions 7 and 10 (the 7Z,10Z-geoisomer).
(3s,3ar,7s,8ar)-6-(3-hydroxybutyl)-3,7-dimethyl-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
6,9-dihydroxy-7-isopropyl-3,10-dimethylspiro[4.5]dec-3-en-2-one
(1r,4s,5s,6r,9r)-5,6-dihydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-3-one
(1r,3as,7r,7ar)-7,7a-dimethyl-1-[(2r)-2-methyloxirane-2-carbonyl]-hexahydro-1h-inden-3a-ol
4-hydroxy-4-(5-hydroxy-3-methylpent-1-en-1-yl)-3,5,5-trimethylcyclohex-2-en-1-one
(3s,3as,6r,6ar)-6-isopropyl-3a-methyl-3-(3-oxobutyl)-tetrahydro-3h-cyclopenta[c]furan-1-one
(1r,5as,8s,9as,9br)-6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-1,8-diol
(1e,8s)-6-hydroxy-8-(2-hydroxypropan-2-yl)-5-methylidenecyclodec-1-ene-1-carbaldehyde
(2s,3ar,7s,7ar,7bs)-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-octahydronaphtho[1,2-b]oxiren-2-ol
6,8-dihydroxy-7-isopropyl-3,10-dimethylspiro[4.5]dec-3-en-2-one
(4s,4as,7r)-7-hydroxy-7-(hydroxymethyl)-1-isopropyl-4-methyl-3,4,4a,5,6,8-hexahydronaphthalen-2-one
(5ar,6s,9ar,10as)-4,5a,6-trimethyl-3h,5h,6h,7h,8h,9h,9ah,10h-naphtho[2,3-c][1,2]dioxin-10a-ol
(5s,6r,7r,10r)-6-hydroxy-7-(2-hydroxypropan-2-yl)-3,10-dimethylspiro[4.5]dec-3-en-2-one
(3r)-3-hydroxy-2-[(1s,2r)-2-hydroxy-4-methylcyclohex-3-en-1-yl]-6-methylhept-1-en-4-one
(3r,3as,9r,10s,11ar)-9-hydroxy-3,6,10-trimethyl-3h,3ah,4h,5h,8h,9h,10h,11h,11ah-cyclodeca[b]furan-2-one
6-(hydroxymethyl)-6,9a-dimethyl-1h,3h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-1-ol
(1r,2s,6r,8r,10s)-6-(hydroxymethyl)-3,3-dimethyl-11-methylidenetricyclo[6.3.0.0²,⁶]undecane-1,10-diol
(1r,4s,4ar,8ar)-4-[(2s)-1-hydroxypropan-2-yl]-6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1-carboxylic acid
(2e,6e)-2,8,10-trimethyl-11-oxododeca-2,6-dienoic acid
2-[(2s,4ar,8r,8as)-8-hydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoic acid
(1s,3ar,4s,8ar)-7-isopropyl-4-methoxy-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
2-(8-hydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl)prop-2-enoic acid
(4as,7r,8ar)-7-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1h-naphthalen-2-one
(6s)-6-[(2r,5s)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-one
4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.0³,⁸]decane-2,9-diol
(1r,4r,6r,10r,11r)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[9.1.0.0⁴,⁶]dodecane-10-peroxol
7-isopropyl-4,10-dimethyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-5-en-4-ol
(5s,6r,7r,8s,10r)-6,8-dihydroxy-7-isopropyl-3,10-dimethylspiro[4.5]dec-3-en-2-one
1-isopropyl-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1h-naphthalene-2,3,6-triol
(2r,4e)-2-[(2r,5r)-5-ethenyl-5-methyloxolan-2-yl]-6-hydroxy-6-methylhept-4-en-3-one
(5r)-5-[(1e,3s)-3-isopropyl-6-oxohept-1-en-1-yl]-5-methyloxolan-2-one
7,7a-dimethyl-1-(2-methyloxirane-2-carbonyl)-hexahydro-1h-inden-3a-ol
(1s,2s,3r,4e,7r,9s)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene-2,3,7-triol
(6r)-3-(2-hydroxypropan-2-yl)-6-methyl-6-(4-oxopentyl)cyclohex-2-en-1-one
(1's,2s,2's,3'r,6's,8's,9's,10'r)-3'-isopropyl-6'-methylspiro[oxirane-2,7'-tricyclo[4.4.0.0²,⁸]decane]-9',10'-diol
(6s)-6-[(1r,4r,5r)-4,5-dihydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-en-4-one
(1ar,2as,6as,7s,7ar)-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-hexahydronaphtho[2,3-b]oxiren-2-one
1-(2-methoxy-2-methylpropyl)-3a-methyl-7-methylidene-hexahydro-1h-inden-4-ol
(3r,3as,5ar,9r,9as,9bs)-9-hydroxy-3,5a,9-trimethyl-octahydro-3h-naphtho[1,2-b]furan-2-one
(1r,3r,4r,5r)-3-hydroxy-8-(hydroxymethyl)-4-isopropyl-1,7-dimethylbicyclo[3.2.1]oct-6-ene-6-carbaldehyde
6-hydroxy-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-3a,4,5,6,7,8-hexahydro-3h-azulen-2-one
6-(1,2-dihydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
6-(3-hydroxyprop-1-en-2-yl)-4,4a-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalene-1,3-diol
(1r,2s,5r,7r,8r)-8-hydroxy-6,6,8-trimethyltricyclo[5.3.1.0¹,⁵]undecane-2-carboxylic acid
(1,2,4a-trimethyl-5-oxo-hexahydro-2h-naphthalen-1-yl)acetic acid
(2s,4ar,5r,7r)-5,7-dihydroxy-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-one
(1s,2r,5s,7r,8r)-8-hydroxy-6,6,8-trimethyltricyclo[5.3.1.0¹,⁵]undecane-2-carboxylic acid
(2s,4as,7r,8ar)-7-(3-hydroxyprop-1-en-2-yl)-4a-methyl-1-methylidene-hexahydro-2h-naphthalene-2,8a-diol
6-(3-hydroxybutyl)-3,7-dimethyl-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
methyl 4-[(1s,2r)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl]butanoate
(1as,4s,4ar,7r,7ar,7bs)-4-methoxy-1,1,4,7-tetramethyl-octahydrocyclopropa[e]azulen-7-ol
(2e,6e,8r,10e)-8,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trienal
3-hydroxy-2-[(2r)-2-hydroxy-4-methylcyclohex-3-en-1-yl]-6-methylhept-1-en-4-one
(2r,4s,4ar,7as,7br)-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,4h,4ah,5h,7h,7ah-cyclobuta[e]indene-2,4-diol
(4s,4ar,6s,8as)-6-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4h-naphthalen-1-one
(4r)-4-[(2r)-6-methyl-4-oxoheptan-2-yl]cyclohex-1-ene-1-carboxylic acid
(1r,4ar,7r,8ar)-7-(2-hydroxypropan-2-yl)-4a-methyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-one
6-hydroxy-3,5,8a-trimethyl-decahydronaphtho[2,3-b]furan-2-one
(1ar,2s,3s,3ar,6as,6br)-3-hydroxy-2-(hydroxymethyl)-5,5,6b-trimethyl-hexahydro-1h-cyclopropa[e]indene-1a-carbaldehyde
(1ar,4r,4ar,7s,7as,7br)-4-methoxy-1,1,4,7-tetramethyl-octahydrocyclopropa[e]azulen-7-ol
4-[(1s,2r)-3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enoic acid
(1s,2r,7r,8r,10r)-3,3,7-trimethyl-13-methylidene-11,12-dioxatricyclo[8.2.1.0²,⁷]tridecan-8-ol
(4e)-2-(5-ethenyl-5-methyloxolan-2-yl)-6-hydroxy-6-methylhept-4-en-3-one
(2r,5s,8s)-2,5-dihydroxy-8-isopropyl-2,5-dimethyl-4,6,7,8-tetrahydro-3h-naphthalen-1-one
9-hydroxy-4-isopropyl-8-methylspiro[4.5]dec-7-ene-1-carboxylic acid
2-[(3s,3as,5r,8s,8as)-3-hydroxy-3a,8-dimethyl-octahydro-1h-azulen-5-yl]prop-2-enoic acid
(2as,4ar,7s,7ar,7br)-7a-(hydroxymethyl)-2,2,4a-trimethyl-1h,3h,4h,7h,7bh-cyclobuta[e]indene-2a,7-diol
(3s,4s)-3-hydroxy-4-[(2r)-6-methylhept-5-en-2-yl]cyclohex-1-ene-1-carboxylic acid
8a-methyl-4-methylidene-6-(prop-1-en-2-yl)-hexahydro-1h-naphthalene-1,3,4a-triol
3-[(1s,2s,4ar,6r,8as)-6-(hydroxymethyl)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propanoic acid
5-[(1r,4r)-4-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoic acid
(2s,5s,6s,8r,9r,10s)-8,9-dihydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carbaldehyde
1-(1-methoxy-2-methylpropyl)-3a-methyl-7-methylidene-hexahydro-1h-inden-4-ol
1,2,11-trimethyl-8-oxatricyclo[7.4.0.0²,⁶]tridec-10-ene-4,6-diol
7,8-dihydroxy-6-isopropyl-3-methyl-9-methylidenecyclodec-2-en-1-one
(1ar,6ar,7s,7ar)-7-(hydroxymethyl)-3,3,6a,7a-tetramethyl-hexahydronaphtho[2,3-b]oxiren-2-one
(2e,5e)-7-hydroxy-7-methyl-3-(4-methylpent-3-en-1-yl)octa-2,5-dienoic acid
(1s,2r,3r,6r,8s)-6,8-dihydroxy-2,3,10,10-tetramethyltricyclo[6.3.0.0²,⁶]undecan-4-one
(4ar,6r,7r,8as)-7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one
(1ar,4r,4as,7s,7as,7br)-4-methoxy-1,1,4,7-tetramethyl-octahydrocyclopropa[e]azulen-7-ol
(1s,2s,3ar,7s,9s,9as,9br)-1,9,9a-trimethyl-1h,2h,3ah,4h,5h,7h,8h,9h,9bh-naphtho[2,1-b]furan-2,7-diol
(4as,7r,8s)-8-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
(4as,7s)-7-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-4,5,6,8-tetrahydro-3h-naphthalen-2-one
(1s,3as,7s,9s,9as,9br)-1,9,9a-trimethyl-1h,2h,4h,5h,7h,8h,9h,9bh-naphtho[2,1-b]furan-3a,7-diol
methyl 4-[(1s,2s)-3-oxo-2-[(2z)-pent-2-en-1-yl]cyclopentyl]butanoate
(2e,6r)-6-[(1s,2r)-2-hydroxy-4-methylcyclohex-3-en-1-yl]-2-methylhept-2-enoic acid
(1r,4s,7r,10r)-7-isopropyl-4,10-dimethyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-5-en-4-ol
(2r,5s,6r,8s,10r)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carboxylic acid
6-(hydroxymethyl)-3,3-dimethyl-11-methylidenetricyclo[6.3.0.0²,⁶]undecane-1,10-diol
3-hydroxy-2-[2-(2-hydroxy-4,4-dimethylcyclopentyl)-2-methylcyclobutylidene]propanal
(3s,3ar,7s,8ar)-6-[(3s)-3-hydroxybutyl]-3,7-dimethyl-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
11-methoxyopposit-4(15)-en-1β-ol
{"Ingredient_id": "HBIN000470","Ingredient_name": "11-methoxyopposit-4(15)-en-1\u03b2-ol","Alias": "NA","Ingredient_formula": "C16H28O2","Ingredient_Smile": "CC12CCC(C1C(=C)CCC2O)CC(C)(C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14041","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
13-hydroxycapsidiol
{"Ingredient_id": "HBIN001246","Ingredient_name": "13-hydroxycapsidiol","Alias": "NA","Ingredient_formula": "C15H24O3","Ingredient_Smile": "CC1C(CC(C2=CCC(CC12C)C(=C)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9888","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1S,4R,6R,7R)-4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-3-norcaranone
{"Ingredient_id": "HBIN003282","Ingredient_name": "(1S,4R,6R,7R)-4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-3-norcaranone","Alias": "Bicyclo(4.1.0)heptan-3-one, 4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-, (1S,4R,6R,7R)-; (1S,4R,6R,7R)-4-(2-hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one; (1S,4R,6R,7R)-4-(1-hydroxy-1-methyl-ethyl)-1-methyl-7-(3-oxobutyl)norcaran-3-one; 213746-17-9; (1S,4R,6R,7R)-4-(1-hydroxy-1-methyl-ethyl)-7-(3-ketobutyl)-1-methyl-norcaran-3-one","Ingredient_formula": "C15H24O3","Ingredient_Smile": "CC(=O)CCC1C2C1(CC(=O)C(C2)C(C)(C)O)C","Ingredient_weight": "252.35","OB_score": "14.77134358","CAS_id": "213746-17-9","SymMap_id": "SMIT06195","TCMID_id": "NA","TCMSP_id": "MOL004240","TCM_ID_id": "NA","PubChem_id": "154168","DrugBank_id": "NA"}
(1S,4S,5S,10R)-zedoarondiol
{"Ingredient_id": "HBIN003290","Ingredient_name": "(1S,4S,5S,10R)-zedoarondiol","Alias": "NA","Ingredient_formula": "C15H24O3","Ingredient_Smile": "CC(=C1CC2C(CCC2(C)O)C(CC1=O)(C)O)C","Ingredient_weight": "252.35 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41130","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44225282","DrugBank_id": "NA"}
(1S,4S,6R,7R)-4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-3-norcaranone
{"Ingredient_id": "HBIN003294","Ingredient_name": "(1S,4S,6R,7R)-4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-3-norcaranone","Alias": "(1S,4S,6R,7R)-4-(2-hydroxypropan-2-yl)-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one; Bicyclo(4.1.0)heptan-3-one, 4-(1-hydroxy-1-methylethyl)-1-methyl-7-(3-oxobutyl)-, (1S,4S,6R,7R)-; (1S,4S,6R,7R)-4-(1-hydroxy-1-methyl-ethyl)-1-methyl-7-(3-oxobutyl)norcaran-3-one; 213746-16-8; (1S,4S,6R,7R)-4-(1-hydroxy-1-methyl-ethyl)-7-(3-ketobutyl)-1-methyl-norcaran-3-one","Ingredient_formula": "C15H24O3","Ingredient_Smile": "CC(=O)CCC1C2C1(CC(=O)C(C2)C(C)(C)O)C","Ingredient_weight": "252.35","OB_score": "13.8790583","CAS_id": "213746-16-8","SymMap_id": "SMIT06194","TCMID_id": "NA","TCMSP_id": "MOL004239","TCM_ID_id": "NA","PubChem_id": "154167","DrugBank_id": "NA"}
2,6,10-farnesatriene-1,5,12-triol; (2e,5ξ,6e,10e)-form,12-aldehyde
{"Ingredient_id": "HBIN004823","Ingredient_name": "2,6,10-farnesatriene-1,5,12-triol; (2e,5\u03be,6e,10e)-form,12-aldehyde","Alias": "NA","Ingredient_formula": "C15H24O3","Ingredient_Smile": "NA","Ingredient_weight": "252.35","OB_score": "NA","CAS_id": "175800-11-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8842","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-Dihydroxydihydgaroaroiuran
{"Ingredient_id": "HBIN007403","Ingredient_name": "3,4-Dihydroxydihydgaroaroiuran","Alias": "3,4-dihydroxydihydgaroaroiuran","Ingredient_formula": "C16H28O2","Ingredient_Smile": "CC1(CC23CC1CCC2(CCC(C3(C)O)O)C)C","Ingredient_weight": "252.44","OB_score": "77.91839533","CAS_id": "NA","SymMap_id": "SMIT01031","TCMID_id": "25911","TCMSP_id": "MOL003869","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3α-hydroxy-4α,5α-epoxy-7-oxo-(8[7→6]-abeoamorphane
{"Ingredient_id": "HBIN007945","Ingredient_name": "3\u03b1-hydroxy-4\u03b1,5\u03b1-epoxy-7-oxo-(8[7\u21926]-abeoamorphane","Alias": "NA","Ingredient_formula": "C15H24O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10090","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-cyclohexene-1-methanol-α,α,4-trimethyl,acetate
{"Ingredient_id": "HBIN008407","Ingredient_name": "3-cyclohexene-1-methanol-\u03b1,\u03b1,4-trimethyl,acetate","Alias": "NA","Ingredient_formula": "C15H24O3","Ingredient_Smile": "CC1=C(C(C(CC1)C(C=C)O)(C)C)COC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42549","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,10-dihydroxy-7(11)-guaien-8-one; (1β,4β,5β,10β)-form
{"Ingredient_id": "HBIN009791","Ingredient_name": "4,10-dihydroxy-7(11)-guaien-8-one; (1\u03b2,4\u03b2,5\u03b2,10\u03b2)-form","Alias": "NA","Ingredient_formula": "C15H24O3","Ingredient_Smile": "NA","Ingredient_weight": "252.35","OB_score": "NA","CAS_id": "116425-34-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7953","PubChem_id": "NA","DrugBank_id": "NA"}
6α-methoxyeudesm-4(15)-en-1β-ol
{"Ingredient_id": "HBIN012210","Ingredient_name": "6\u03b1-methoxyeudesm-4(15)-en-1\u03b2-ol","Alias": "NA","Ingredient_formula": "C16H28O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13918","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6S)-6-[(1R,4S,5S)-4,5-dihydroxy-4-methyl-1-cyclohex-2-enyl]-2-methylhept-2-en-4-one
{"Ingredient_id": "HBIN012797","Ingredient_name": "(6S)-6-[(1R,4S,5S)-4,5-dihydroxy-4-methyl-1-cyclohex-2-enyl]-2-methylhept-2-en-4-one","Alias": "(6S)-6-[(1R,4S,5S)-4,5-dihydroxy-4-methyl-1-cyclohex-2-enyl]-2-methyl-hept-2-en-4-one","Ingredient_formula": "C15H24O3","Ingredient_Smile": "NA","Ingredient_weight": "252.35","OB_score": "36.92070625","CAS_id": "120681-81-4","SymMap_id": "SMIT03449","TCMID_id": "NA","TCMSP_id": "MOL000962","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,11-dihydroxy-1(10)-nardosinen-9-one; 7β-form
{"Ingredient_id": "HBIN012862","Ingredient_name": "7,11-dihydroxy-1(10)-nardosinen-9-one; 7\u03b2-form","Alias": "NA","Ingredient_formula": "C15H24O3","Ingredient_Smile": "NA","Ingredient_weight": "252.35","OB_score": "NA","CAS_id": "20489-11-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7497","PubChem_id": "NA","DrugBank_id": "NA"}
α-epoxy-dihydroartemisinicacid
{"Ingredient_id": "HBIN015505","Ingredient_name": "\u03b1-epoxy-dihydroartemisinicacid","Alias": "NA","Ingredient_formula": "C15H24O3","Ingredient_Smile": "CC1CCC(C2C1CCC3(C2O3)C)C(C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7068","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
baimuxinfuranic acid
{"Ingredient_id": "HBIN017524","Ingredient_name": "baimuxinfuranic acid","Alias": "baimuxinfuranicacid","Ingredient_formula": "C15H24O3","Ingredient_Smile": "CC1(C2CCC3(CCCC(C3(C2)O1)C(=O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30643;2112","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
baimuxinic acid
{"Ingredient_id": "HBIN017525","Ingredient_name": "baimuxinic acid","Alias": "baimuxinicacid","Ingredient_formula": "C15H24O3","Ingredient_Smile": "CC1CCC=C(C12CCC(C2)C(C)(C)O)C(=O)O","Ingredient_weight": "252.35","OB_score": "25.51878542","CAS_id": "84210-00-4","SymMap_id": "SMIT11545","TCMID_id": "30644;2113","TCMSP_id": "MOL010504","TCM_ID_id": "NA","PubChem_id": "134707","DrugBank_id": "NA"}
bisacurone
{"Ingredient_id": "HBIN018593","Ingredient_name": "bisacurone","Alias": "NA","Ingredient_formula": "C15H24O3","Ingredient_Smile": "CC(CC(=O)C=C(C)C)C1CC(C(C=C1)(C)O)O","Ingredient_weight": "252.35 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14485","TCMID_id": "2428","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14287397","DrugBank_id": "NA"}
