Exact Mass: 252.1725
Exact Mass Matches: 252.1725
Found 500 metabolites which its exact mass value is equals to given mass value 252.1725,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Juvenile hormone III acid
A member of the juvenile hormone family of compounds obtained by formal hydrolysis of the methyl ester group of juvenile hormone III.
Zedoarondiol
1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one is a sesquiterpenoid. Zedoarondiol is a natural product found in Curcuma aeruginosa, Curcuma aromatica, and other organisms with data available. Zedoarondiol is found in turmeric. Zedoarondiol is a constituent of Curcuma zedoaria (zedoary) Constituent of Curcuma zedoaria (zedoary). Zedoarondiol is found in turmeric.
6alpha-Carissanol
6beta-6,11-Dihydroxy-4-eudesmen-3-one is found in fruits. 6beta-6,11-Dihydroxy-4-eudesmen-3-one is from Carissa edulis (agam From Carissa edulis (agam). 6beta-6,11-Dihydroxy-4-eudesmen-3-one is found in fruits.
3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol
3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol is found in root vegetables. 3(4->5)-Abeo-4,11:4,12-diepoxy-3-eudesmanol is a constituent of Cyperus rotundus (nutgrass)
Epioxylubimin
Oxylubimin is found in potato. Oxylubimin is isolated from potato tubers infected with Phytophthora infestans. Isolated from potato tubers infected with Phytophthora infestans. Epioxylubimin is found in potato.
Bisacurone B
Bisacurone A is found in beverages. Bisacurone A is a constituent of Curcuma xanthorrhiza (Java turmeric).
(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.
Dihydromyoporone
Dihydromyoporone is found in root vegetables. Dihydromyoporone is a stress metabolite of sweet potato (Ipomoea batatas Stress metabolite of sweet potato (Ipomoea batatas). Dihydromyoporone is found in sweet potato and root vegetables.
Acorusdiol
Constituent of Acorus calamus (sweet flag). Acorusdiol is found in herbs and spices and root vegetables. Acorusdiol is found in herbs and spices. Acorusdiol is a constituent of Acorus calamus (sweet flag)
2,3-Dihydroabscisic alcohol
2,3-Dihydroabscisic alcohol is found in fruits. 2,3-Dihydroabscisic alcohol is a constituent of starfruit Averrhoa carambola. Constituent of starfruit Averrhoa carambola. 2,3-Dihydroabscisic alcohol is found in fruits.
Apotrichodiol
Apotrichodiol is a mycotoxin of Fusarium culmorum, Fusarium sambucinum and Fusarium crookwellense. Mycotoxin production by Fusarium sambucinum
Urodiolenone
Urodiolenone is found in citrus. Urodiolenone is found in grapefruit. Found in grapefruit
alpha-Carissanol
alpha-Carissanol is found in fruits. alpha-Carissanol is a constituent of Carissa edulis (agam) Constituent of Carissa edulis (agam). alpha-Carissanol is found in fruits.
1-Hydroxyepiacorone
1-Hydroxyepiacorone is found in herbs and spices. 1-Hydroxyepiacorone is a constituent of Acorus calamus (sweet flag)
Hydroxypelenolide
Hydroxypelenolide is found in alcoholic beverages. Hydroxypelenolide is a constituent of Artemisia absinthium (wormwood). Constituent of Artemisia absinthium (wormwood). Hydroxypelenolide is found in alcoholic beverages and herbs and spices.
3-Methyl-5-pentyl-2-furanpentanoic acid
3-Methyl-5-pentyl-2-furanpentanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-Methyl-5-pentyl-2-furanpentanoic acid, in particular, can be described by the shorthand notation 5M5. This refers to its 5-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 5-carbon alkyl moiety. It has been identified in fish oil.
3-Methyl-5-propyl-2-furanheptanoic acid
3-Methyl-5-propyl-2-furanheptanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-Methyl-5-propyl-2-furanheptanoic acid, in particular, can be described by the shorthand notation 7M3. This refers to its 7-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 3-carbon alkyl moiety.
Phytuberol
Phytuberol is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Phytuberol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Phytuberol can be found in potato, which makes phytuberol a potential biomarker for the consumption of this food product.
Punctaporonin B
(5alpha,8beta,10alpha)-9(12)-Capnellene-5,8,10-triol
3,4,4a,5,6,7-Hexahydro-3-hydroxy-4-(1-hydroxy-1-methylethyl)-4a,5-dimethylnaphthalen-1(2H)-one
8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
3-Hydroxy-12,8-eudesmanolide
Toxin FS 2
Isotrichodiol
2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Trichodiol A
[2R-[2alpha(2R*,4E),5beta]]-2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-hydroxy-6-methyl-4-hepten-3-one
Spiro[tricyclo[4.4.0.0(5,9)]decane-10,2-oxirane], 1-methyl-4-isopropyl-7,8-dihydroxy-, (8S)-
phytuberol
Sch 725432
A sesquiterpenoid based on the caryophyllene ring system. Isolated from the fungal fermentation broth of Chrysosporium pilosum, it exhibits antifungal activity.
[4aR-(4aalpha,5alpha,6beta,8abeta)]-4a,5,6,7,8,8a-Hexahydro-5-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
1lapha-Hydroxy-4(15)-eudesmen-12-oic acid
[3S-(3alpha,3aalpha,5alpha,8alpha,8abeta)]-Decahydro-3-hydroxy-3a,8-dimethyl-a-methylene 5-azuleneacetic acid
(E)-5-(3-hydroxy-2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpent-2-enoic acid
11alpha,13-dihydro-4H-xanthalongin|2-desacetoxy-11alpha,13-dihydroxanthuminol
3alpha-hydroxy-4alpha,5alpha-epoxy-7-oxo-(8[7->6]-abeo-amorphane)|3??-Hydroxy-4??,5??-epoxy-7-oxo-(8[7鈥樏傗垎6]-abeoamorphane
3alpha,9alpha-dihydroxy-7beta,10alpha-H-eremophil-11(13)-en-8-one
6-(2-hydroxymethyl-3-methyl-4-oxocyclopentyl)-2-methylhepta-3,6-dien-2-ol|isolitseane C
(E)-6-Hydroxy-7-methyl-3-(4-methyl-3-pentenyl)-2,7-octadienoic acid|2E,10-(2-hydroxy-3-methyl-but-3-enyl)-geranic acid
3alpha,8alpha-dihydroxy-7alpha,10betaH-eremophil-11(13)-en-9-one
8alpha,11-dihydroxy-5-epi-eremophil-1(10)-en-2-one
(2Z,5E)-7-Hydroxy-7-methyl-3-(4-methyl-3-pentenyl)-2,5-octadienoic acid|2Z,11E-13-hydroxy-10-sesquigeranic acid
3alpha,9alpha-dihydroxy-10alphaH-eremophil-7(11)-en-8-one
(7alphaH)-12,14-Dihydroxy-3(15)-caryophyllen-8-one
(5alpha,6alpha,9alpha)-form-5,9-Epidioxy-7-daucen-6-ol|1,5-epidioxy-2-hydroxycarot-3-ene
(1(10)E,4E,6beta,8alpha,11alphaH,12beta)-8,12-Epoxy-1(10),4-germacradiene-6,12-diol
(E,2R,5R,6R,7S)-5,6-dihydroxygermacra-1(10),4(15)-dien-2-one
(2R)-2-hydroxycurdione|2beta-hydroxycurdione|aeruginone
3-(3,4-dimethyl-5-pentyl-furan-2-yl)-propionic acid methyl ester
2,10-dihydroxy-2,6,10-trimethyldodeca-3,6,11-trien-5-one
5,10alpha,13-trihydroxy-marasm-7(8)-ene|marasmic triol
1,6,6,10-tetramethyl-4,9,14-trioxatetracyclotetradecane
4-[3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]-pent-4-enoic acid|beta-caryophyllonic acid
(4aR,6S,7S,8aS)-7-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one
4-[[2-Methyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran]-2-yl]-1-cyclohexene-1-carbaldehyde
epilippidulcine B|rel-(6R,1S,4R)-6-(1,4-dihydroxy-1,5-dimethyl-5-hexenyl)-3-methyl-2-cyclohexenone
(1R,2S,3aS,4S,5S,7R,7aR)-octahydro-2,7-dihydroxy-1,7a-dimethyl-5-(1-methylethyl)-1,4-methano-1H-inden-8-one|dendronobilin A
(Z)-2-(octahydro-1-hydroxy-1,6,6-trimethyl-4H-inden-4-ylidene)propanoic acid|9alpha-hydroxybrasil-5(10)-en-12-carboxylic acid|xylarenic acid
(1R,5S,8S,9S,10S)-1-hydroxy-12,11-drimanolide|agripilolactone
(2S,3aR,3bS,6aS,7aS)-hexahydro-3a,5,5-trimethyl-3-methylidene-1H-cyclopenta[a]pentalene-2,6a,7a(2H,7H)-triol|hirsutanol E
(1R,4S,7S,10R)-1,11-dihydroxyl-4,14-epoxy-5(6)-eudesmene|dictamnadiol
7beta,8alpha,12-trihydroxyeremophila-9,11(13)-diene
10betaH-8alpha,12-epidioxyeremophil-7(11)-en-8beta-ol
1alpha,2alpha-epoxy-10(H)alpha-dauca-11(12)-ene-7alpha,14-diol
1S,6S,7R,10S-6,10-dihydroxy-4(5)-cadinen-3-one|hypocreaterpene A
1R,6R,7R,9S,10R-9,10-dihydroxy-4(5)-cadinen-3-one|hypocreaterpene 2
10-hydroxy-2,6,10-trimethyl-2E,6E,11-dodecatrienoic acid
1beta,3alpha,5beta-trihydroxyl-7-isopropenylgermacren-4(15),10(14)-diene
3-hydroxy-gamma-eudesmal|3beta,11-dihydroxy-7alphaH-eudesma-4-ene-15-al
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
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
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.)-
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_2-Naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-alpha-methylene
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
3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one_major
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
Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-,hydrate (2:1)
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
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.
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
(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.
2-(8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid
(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
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
(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
(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
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
1,2,11-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
(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
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"}
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"}
(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"}
