Exact Mass: 256.1808

Exact Mass Matches: 256.1808

Found 500 metabolites which its exact mass value is equals to given mass value 256.1808, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Huperzine

1H-5,10b-Propeno-1,7-phenanthrolin-8(7H)-one, 2,3,4,4a,5,6-hexahydro-12-methyl-, [4aR-(4aalpha,5alpha,10balpha)]-

C16H20N2O (256.1576)

Huperzine b is a phenanthrol. Huperzine B is a novel acetylcholinesterase inhibitor. Huperzine b is a natural product found in Huperzia quasipolytrichoides, Huperzia herteriana, and other organisms with data available. Huperzine B is a Lycopodium alkaloid isolated from Huperzia serrata and a highly selective acetylcholinesterase (AChE) inhibitor. Huperzine B can be uesd to can be used to improve Alzheimer's disease[1][2]. Huperzine B is a Lycopodium alkaloid isolated from Huperzia serrata and a highly selective acetylcholinesterase (AChE) inhibitor. Huperzine B can be uesd to can be used to improve Alzheimer's disease[1][2].

Chanoclavine

2-Propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))-

C16H20N2O (256.1576)

CONFIDENCE Claviceps purpurea sclerotia

17-Deoxyestradiol

15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-ol

C18H24O (256.1827)

3-Deoxyestradiol

3-Deoxy-17beta-estradiol

C18H24O (256.1827)

3,3-Dimethylbisphenol A

2,2-Bis(4-hydroxy-3-methylphenyl)propane

C17H20O2 (256.1463)

3,3-Bis(4-hydroxyphenyl)pentane

4,4-(1-Ethylpropane-1,1,-diyl)diphenol

C17H20O2 (256.1463)

(-)-Fumigaclavine B

4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol

C16H20N2O (256.1576)

(-)-Fumigaclavine B is a mycotoxin from Aspergillus fumigatus and Rhizopus arrhizu

Pulcherriminic acid

C12H20N2O4 (256.1423)

A pyrazine N-oxide that is pyrazine-1,4-dioxide substituted at positions 2 and 5 by hydroxy groups and at positions 3 and 6 by isobutyl groups. Formed by oxidative aromatisation of cyclo(L-leucyl-L-leucyl).

dihydrochanoclavine-I aldehyde

C16H20N2O (256.1576)

An ergot alkaloid that is 1,3,4,5-tetrahydrobenzo[cd]indole which is substituted at position 4 by a methylamino group and at position 5 by a 2-methyl-3-oxopropyl group (the 4R,5R diastereoisomer).

Ipomeatetrahydrofuran

4-Methyl-1-[tetrahydro-5-(3-hydroxy-1-methylpropyl)-2-methyl-2-furanyl]-2-pentanone, 9ci

C15H28O3 (256.2038)

Ipomeatetrahydrofuran is found in potato. Ipomeatetrahydrofuran is isolated from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata. Isolated from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata. Ipomeatetrahydrofuran is found in root vegetables and potato.

Falcarindione

(9E)-heptadeca-1,9-dien-4,6-diyne-3,8-dione

C17H20O2 (256.1463)

Isolated from roots of Carum carvi (caraway). Falcarindione is found in caraway, fats and oils, and herbs and spices. Falcarindione is found in caraway. Falcarindione is isolated from roots of Carum carvi (caraway).

5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid

C14H24O4 (256.1675)

5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun

Monomenthyl succinate

4-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-4-oxobutanoic acid

C14H24O4 (256.1675)

Monomenthyl succinate is a flavouring ingredient with a cooling, minty tast Flavouring ingredient with a cooling, minty taste

(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid

3-Oxo-6(R)-hydroxy-tetradec-8-cis-enoic acid

C14H24O4 (256.1675)

(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid, also known as 3-oxo-6(R)-hydroxy-tetradec-8-cis-enoate, is considered to be a practically insoluble (in water) and relatively neutral molecule.

(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid

3-Oxo-6(S)-hydroxy-tetradec-8-cis-enoic acid

C14H24O4 (256.1675)

(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid, also known as 3-oxo-6(S)-hydroxy-tetradec-8Z-enoate, is considered to be a practically insoluble (in water) and relatively neutral molecule.

4,4'-Methylenebis(2,6-dimethylphenol)

4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol

C17H20O2 (256.1463)

Leucine-beta-naphthylamide

2-amino-4-methyl-N-(naphthalen-2-yl)pentanamide

C16H20N2O (256.1576)

Bakuchiol

4-(3-ethenyl-3,7-dimethylocta-1,6-dien-1-yl)phenol

C18H24O (256.1827)

huperzine b

16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,16-trien-5-one

C16H20N2O (256.1576)

11-Oxahexadecanolide

1,7-dioxacycloheptadecan-8-one

C15H28O3 (256.2038)

Flavouring compound [Superscent]

Bakuchiol

4-(3-ethenyl-3,7-dimethylocta-1,6-dien-1-yl)phenol

C18H24O (256.1827)

Bakuchiol is under investigation in clinical trial NCT03112863 (Comparison of the Cosmetic Effects of Bakuchiol and Retinol). Bakuchiol is a natural product found in Otholobium pubescens, Otholobium glandulosum, and other organisms with data available. See also: Cullen corylifolium fruit (part of). Bakuchiol is a phytoestrogen derived from psoralen seeds and has anti-tumor and other effects. Bakuchiol is a phytoestrogen derived from psoralen seeds and has anti-tumor and other effects.

Cadinane-4beta,5alpha,10beta-triol

(-)-Cadinane-4beta,5alpha,10beta-triol

C15H28O3 (256.2038)

[1R-[1R(cis),3S]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid

[1R-[1R*(cis),3S*]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid

C15H28O3 (256.2038)

1beta,4beta,6beta-Trihydroxyeudesmane

C15H28O3 (256.2038)

Montiporyne F

C18H24O (256.1827)

Pigmol

[1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol

C15H28O3 (256.2038)

7-Methyllycodine

N-Methyl-lycodine

C17H24N2 (256.1939)

[1S-(1alpha,2alpha,3beta,4abeta,8aalpha)]-Decahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-2,3-naphthalenediol

C15H28O3 (256.2038)

Cyclonerodiol oxide

C15H28O3 (256.2038)

1,4,7-Eudesmanetriol

(-)-1beta,4beta,7alpha-Trihydroxyeudesmane

C15H28O3 (256.2038)

Pterocarptriol

[1R-(1alpha,3alpha,4abeta,7beta,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,3-naphthalenediol

C15H28O3 (256.2038)

Cyclonerotriol

C15H28O3 (256.2038)

Chokol E

(3R)-6-[1R,2S,3R)-3-Hydroxy-2,3-dimethylcyclopentyl]-2-methylhepta-6-ene-2,3-diol

C15H28O3 (256.2038)

[1R-[1R(trans),3S]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid

[1R-[1R*(trans),3S*]]-4-(3-Hydroxy-1,5-dimethylhexyl)-cyclohexanecarboxylic acid

C15H28O3 (256.2038)

(E)-7-Methoxytetradec-4-enoic acid

C15H28O3 (256.2038)

Bullatantriol

(1R,3aR,4R,7S,7aR)-Octahydro-1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyl-1H-indene-4,7-diol

C15H28O3 (256.2038)

A sesqiterpenoid that is octahydro-1H-indene which is substituted by a 2-hydroxy-2-methylpropyl group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). It has been isolated from various Homalomena species.

Pheniramine N-Oxide

C16H20N2O (256.1576)

4-(3,7-Dimethyl-3-vinylocta-1,6-dien-1-yl)phenol

C18H24O (256.1827)

2,6,10-Trimethyldodeca-6,11-diene-2,3,10-triol

C15H28O3 (256.2038)

1,4-DIOXACYCLOHEXADECANE-5,16-DIONE

C14H24O4 (256.1675)

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1087

Reneilmol

C15H28O3 (256.2038)

CHEMBL490375

C17H20O2 (256.1463)

2-Methyl-1-(4-methylamino-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl)-prop-2-en-1-ol

C16H20N2O (256.1576)

Muurolane-4beta,5beta,10beta-triol

C15H28O3 (256.2038)

17-Hydroxy-heptadeca-7t,9t,15t-trien-11,13-diin-4-on|17-hydroxy-heptadeca-7t,9t,15t-triene-11,13-diyn-4-one|Bupleuronol

C17H20O2 (256.1463)

Mucrolidin

(1R,4S,4aS,5S,6S,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol

C15H28O3 (256.2038)

Mucrolidin is a eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 6. It has a role as a plant metabolite. It is a eudesmane sesquiterpenoid and a triol. Mucrolidin is a natural product found in Tanacetopsis mucronata and Homalomena occulta with data available. A eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 6.

ACMC-20mxsg

C18H24O (256.1827)

C17H24N2

C17H24N2 (256.1939)

C18H24O

C18H24O (256.1827)

Dodecanoic acid, 3,7,11-trimethyl-10-oxo-

C15H28O3 (256.2038)

NSC403114

C15H28O3 (256.2038)

(9Z,16Z)-9,16-Octadecadiene-12,14-diynal

C18H24O (256.1827)

(+/-)-deoxofaveline|Deoxofaveline|deoxyfaveline

C18H24O (256.1827)

(+-)-dehydrofalcarinolone|8-hydroxy-heptadeca-1,9c,16-triene-4,6-diyn-3-one

C17H20O2 (256.1463)

Teuclatriol

C15H28O3 (256.2038)

2,4,6,8-tetramethyl-3,4-dihydroxydec-8(9)-enolide

C14H24O4 (256.1675)

Me ether-(4E,7S)-7-Hydroxy-4-tetradecenoic acid

C15H28O3 (256.2038)

SCHEMBL7088708

C15H28O3 (256.2038)

1beta,2beta,9alpha-trihydroxy-beta-dihydroagarofuran

C14H24O4 (256.1675)

C17H20O2

C17H20O2 (256.1463)

Trichodermene A|Trichoderment

C19H28 (256.2191)

8,N2,N6,N6-tetramethyl-1H-cyclohepta[1,2-d;4,5-d]diimidazole-2,6-diamine|Epizoanthoxanthin A

C13H16N6 (256.1436)

2-[(1R,3aR,5S,8R,8aS*)-decahydro-8-hydroxy-3,8-dimethylazulen-5-yl]propane-1,2-diol|xylaranol B

2-[(1R*,3aR*,5S*,8R*,8aS*)-decahydro-8-hydroxy-3,8-dimethylazulen-5-yl]propane-1,2-diol|xylaranol B

C15H28O3 (256.2038)

(all-E)-7,9,15-Heptadecatriene-11,13-diynoic acid

C17H20O2 (256.1463)

6-butyl-6-ethyl-4-ethylidene-1 ,2-dioxan-3-acetic acid

C14H24O4 (256.1675)

Palyzoanthoxanthin A

C13H16N6 (256.1436)

Oprea1_579880

C16H20N2O (256.1576)

SCHEMBL19995658

C14H24O4 (256.1675)

4,7,8-eudesmatriol

C15H28O3 (256.2038)

6E,8E,14E-Hexadecatrien-10,12-diinsaeure-methylester|Me ester-(all-E)-6,8,14-Hexadecatetrien-10,12-diynoic acid

C17H20O2 (256.1463)

4beta,7beta,11-enantioeudesmantriol

C15H28O3 (256.2038)

(2E)-6-butoxy-2-hydroxymethyl-6-methyl-2,7-octadienoic acid

C14H24O4 (256.1675)

C15H28O3

C15H28O3 (256.2038)

(Z)-8-Hydroxy-4-pentadecenoic acid

C15H28O3 (256.2038)

Zoanthoxanthine

C13H16N6 (256.1436)

Zoanthoxanthin

C13H16N6 (256.1436)

Presphaerene

C19H28 (256.2191)

4beta,5alpha-Dihydroxycubenol

C15H28O3 (256.2038)

N-acetylkomaroidine

C16H20N2O (256.1576)

2-oxotridecanyl acetate

C15H28O3 (256.2038)

Paragracine

C13H16N6 (256.1436)

pterodontriol B

C15H28O3 (256.2038)

1,4-Epoxy-2,10-dihydroxy-7-isopropyl-4-methyl-5E-undecan

C15H28O3 (256.2038)

Ac-(E,E,E)-5,7,13-Pentadecatriene-9,11-diyn-1-ol

C17H20O2 (256.1463)

acide (methyl-3 hydroxy-3 butyl)-5 propyl-5 barbiturique

C12H20N2O4 (256.1423)

(Z)-4-hydroxysmirnovine|hydroxysmirnovine|N-(4-acetamidobutyl) N-((Z)-4-hydroxy-3-methyl-2-butenyl)guanidine

C12H24N4O2 (256.1899)

54527-04-7

C15H28O3 (256.2038)

6,8-dimethyl-ergolin-8-ol|9,10-dihydro-setoclavine|Dihydro-setoclavin-I|Dihydrosetoclavine

C16H20N2O (256.1576)

3,4-dihydroxy-beta-bisabolol|rel-(1R,2S,4R)-1-[(1R)-1,5-dimethyl-4-enyl]-1-methylcyclohexane-1,2,4-triol

C15H28O3 (256.2038)

2,6-diamino-2,3,4,6-tetradeoxy-glycero-hex-4-enopyranose-Et glycoside, 2,6-di-N-Ac

C12H20N2O4 (256.1423)

4,10,11-trihydroxyguaiane|guaia-4,10,11-triol

C15H28O3 (256.2038)

agripilol B|rel-(1R,2S,4aR,8aR)-decahydro-1,2-bis(hydroxymethyl)-5,5,8a-trimethylnaphthalen-2-ol

C15H28O3 (256.2038)

6beta,7beta(H)-cadinane-1alpha,4alpha,10alpha-triol

C15H28O3 (256.2038)

1beta,7alpha(H)-cadinane-4alpha,6alpha,10alpha-triol

C15H28O3 (256.2038)

(rel 1S,3R,4R,7R)-3-[3,4-dihydroxy-4-methylpentyl]-1,3,7-trimethyl-2-oxabicyclo[2,2,1]heptane|trichoderiol B

C15H28O3 (256.2038)

1alpha,6beta,11-eudesmanetriol

C15H28O3 (256.2038)

2-(3-hydroxy-3-methylpent-4-en-1-yl)-1,3,3-trimethylcyclohexane-1,4-diol|3,7,10-trihydroxy-6,11-cyclofarnes-1-ene

C15H28O3 (256.2038)

diaporol C

C15H28O3 (256.2038)

SCHEMBL12555516

C12H20N2O4 (256.1423)

(1beta,4beta,6alpha)-4a,8a-trans-decahydro-1,4a-dimethyl-6-(1-methylethyl)naphthalene-1,4,11-triol|(1beta,4beta,6alpha)-gorgonane-1,4,11-triol|(1R,4S,4aS,8R,8aS)-decahydro-8-(1-hydroxy-1-methylethyl)-1,4a-dimethylnaphthalene-1,4-diol

(1beta,4beta,6alpha)-4a,8a-trans-decahydro-1,4a-dimethyl-6-(1-methylethyl)naphthalene-1,4,11-triol|(1beta,4beta,6alpha)-gorgonane-1,4,11-triol|(1R,4S,4aS,8R,8aS)-decahydro-8-(1-hydroxy-1-methylethyl)-1,4a-dimethylnaphthalene-1,4-diol

C15H28O3 (256.2038)

Galanthamine

C17H20O2 (256.1463)

ACMC-20n009

C15H28O3 (256.2038)

(1R,3S,4aS,5R,8aS)-decahydro-3-(1-hydroxy-1-methylethyl)-1,5-dimethylnaphthalene-1,5-diol|(4alpha,7beta,9alpha)-4a,8a-cis-decahydro-1,5-dimethyl-3-(1-methylethyl)naphthalene-4,9,11-triol|(4alpha,7beta,9alpha)-farfugane-4,9,11-triol

(1R,3S,4aS,5R,8aS)-decahydro-3-(1-hydroxy-1-methylethyl)-1,5-dimethylnaphthalene-1,5-diol|(4alpha,7beta,9alpha)-4a,8a-cis-decahydro-1,5-dimethyl-3-(1-methylethyl)naphthalene-4,9,11-triol|(4alpha,7beta,9alpha)-farfugane-4,9,11-triol

C15H28O3 (256.2038)

SCHEMBL16661546

C17H20O2 (256.1463)

rel-(3S,6R,7S)-3,7,11-trimethyl-3,6-epoxy-1-dodecen-7,11-diol

C15H28O3 (256.2038)

4-butoxy-6-(1-hydroxypentyl)-5,6-dihydro-2H-pyran-2-one

C14H24O4 (256.1675)

3,7,11-trimethyldodeca-1,10-diene-3,6,7-triol

C15H28O3 (256.2038)

(-)-eudesm-3beta,4beta,7alpha-triol

C15H28O3 (256.2038)

2,4b-Dimethyl-8-methylene-2-vinyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthrene #

C19H28 (256.2191)

C14H24O4

C14H24O4 (256.1675)

Bis(4-ethoxyphenyl)methane

C17H20O2 (256.1463)

6,9-Dimethyl-7-hydroxyergolin|6,9-dimethyl-ergolin-7-ol

C16H20N2O (256.1576)

(1,8E,12E,14Z)-heptadecatetraene-4,6-diyne-3,11-diol

C17H20O2 (256.1463)

4-ethenyl-2,6-bis(3-methylbut-2-enyl)phenol

C18H24O (256.1827)

1,4,N8,N8-tetramethyl-1H-cyclohepta[1,2-d;3,4-d]diimidazole-2,8-diamine|Trimethuylpseudozoanthooxanthin A|zoanthoxanthin 4

C13H16N6 (256.1436)

UNII-U4JU7QTN2Q

C18H24O (256.1827)

Tetradecanoic acid, 7-oxo-, methyl ester

C15H28O3 (256.2038)

daucucarotol

C15H28O3 (256.2038)

Homopseudozoanthoxanthin

C13H16N6 (256.1436)

(all-E)-17-Hydroxy-5,7,9-heptadecatriene-11,13-diyn-4-one|17-Hydroxy-heptadeca-5t,7t,9t-trien-11,13-diin-4-on|17-hydroxy-heptadeca-5t,7t,9t-triene-11,13-diyn-4-one

C17H20O2 (256.1463)

7-methoxytetradec-4-enoic acid

C15H28O3 (256.2038)

3-Methyl-5-(2,2,6-trimethyl-6-hydroxycyclohexyl)pentanoic acid

C15H28O3 (256.2038)

3,5,9-trimethyl-2-oxiranyl-dec-8-ene-2,5-diol|viridenepoxydiol

C15H28O3 (256.2038)

Stilbostemin M

C17H20O2 (256.1463)

(S)-4,6,9-trimethyl-5,6,7,8-tetrahydrophenanthrene-1,2-diol|henryin A

C17H20O2 (256.1463)

2,6-diprenyl-4-vinylphenol

C18H24O (256.1827)

(-)-erythro-1,5-diphenylpentane-1,3-diol|(1S,3R)-1,5-Diphenyl-1,3-pentanediol

C17H20O2 (256.1463)

Hexahydro-7-(1-hydroxy-1-methylethyl)-1,4-dimethylazulene-3a,8a(3H,8H)-diol

C15H28O3 (256.2038)

eudesmane-1beta-5alpha,11-triol

C15H28O3 (256.2038)

5-Oxomyristic acid methyl ester

C15H28O3 (256.2038)

Methyl 6-oxotetradecanoate

C15H28O3 (256.2038)

8,10-diapocarotene-8,10-dial

C17H20O2 (256.1463)

Pheniramine-N-oxide

N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine oxide

C16H20N2O (256.1576)

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3254 CONFIDENCE standard compound; INTERNAL_ID 2076

_130133

C14H24O4 (256.1675)

PHE_257.1648_10.4

C16H20N2O (256.1576)

CONFIDENCE Transformation product with Reference Standard (Level 1); INTERNAL_ID 1502

C15H28O3_1,2-Cyclohexanediol, 4-[(3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-1-methyl

NCGC00381348-01_C15H28O3_1,2-Cyclohexanediol, 4-[(3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-1-methyl-

C15H28O3 (256.2038)

(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol

C15H28O3 (256.2038)

alpha-Dihydrolysergol

C16H20N2O (256.1576)

SubCategory_DNP: : Alkaloids derived from tryptophan, Ergot alkaloids, Clavine alkaloid

(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol_49.3\\%

C15H28O3 (256.2038)

(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triol_major

C15H28O3 (256.2038)

(E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-enal

C16H20N2O (256.1576)

4-keto pentadecanoic acid

C15H28O3 (256.2038)

11-keto pentadecanoic acid

C15H28O3 (256.2038)

14-keto pentadecanoic acid

C15H28O3 (256.2038)

Lyngbic acid

7(S)-methoxy-tetradec-4E-enoic acid

C15H28O3 (256.2038)

A natural product found in Oscillatoria species and Hormoscilla spp..

2-oxo-pentadecanoic acid

C15H28O3 (256.2038)

3-oxo-pentadecanoic acid

C15H28O3 (256.2038)

fumigaclavine B

4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-3-ol

C16H20N2O (256.1576)

An ergot alkaloid produced by the fungus Aspergillus fumigatus that consists of ergoline substituted by two methyl groups at the 6 and 8beta positions, and by a hydroxy group at the 9beta position.

2-Carboxy-4-tridecanolide

5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid

C14H24O4 (256.1675)

Falcarindione

(9E)-heptadeca-1,9-dien-4,6-diyne-3,8-dione

C17H20O2 (256.1463)

FEMA 3810

4-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-4-oxobutanoic acid

C14H24O4 (256.1675)

Ipomeatetrahydrofuran

4-Methyl-1-[tetrahydro-5-(3-hydroxy-1-methylpropyl)-2-methyl-2-furanyl]-2-pentanone, 9ci

C15H28O3 (256.2038)

FA 15:1;O

14-keto pentadecanoic acid

C15H28O3 (256.2038)

4-[2-(4-hydroxyphenyl)pentan-2-yl]phenol

C17H20O2 (256.1463)

tert-butyl 4-(butylamino)piperidine-1-carboxylate

C14H28N2O2 (256.2151)

TRANS-4-PROPYLCYCLOHEXYL 3,4,5-TRIFLUOROBENZENE

C15H19F3 (256.1439)

2-METHYLENE-PENTANEDIOIC ACID DI-TERT-BUTYL ESTER

C14H24O4 (256.1675)

1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanol

C16H20N2O (256.1576)

2,2-Dibenzyl-1,3-propanediol

C17H20O2 (256.1463)

tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate

C13H25BO4 (256.1846)

4-N-BOC-AMINO-3-CYCLOHEXYLBUTYLAMINE

C14H28N2O2 (256.2151)

5-(bicycloheptenyl)triethoxysilane

C13H24O3Si (256.1495)

tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

C13H24N2O3 (256.1787)

2-(3-Hydroxyazetidin-3-yl)piperidine-1-carboxylic acid tert-butyl ester

C13H24N2O3 (256.1787)

4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol

C17H20O2 (256.1463)

6-methylheptyl prop-2-enoate,prop-2-enoic acid

C14H24O4 (256.1675)

6-Amino-2-Boc-2-azaspiro[3.3]heptane-6-carboxylic acid

C12H20N2O4 (256.1423)

Dimethyl-bisphenol A

C17H20O2 (256.1463)

Dimethyl-bisphenol A (DMBPA) is a potent HIF-1α inhibitor. Dimethyl-bisphenol A can decrease Vegfa mRNA expression[1].

4-(4-Methyl-4H-1,2,4-triazol-3-yl)-1-(phenylmethyl)piperidine

C15H20N4 (256.1688)

(S)-tert-Butyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate

C13H24N2O3 (256.1787)

2-(2-Undecanyl)-1,2-oxasilinane

C15H32OSi (256.2222)

2-CHLOROMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C14H28N2O2 (256.2151)

2-CHLORO-3-ETHOXYMETHYL-PYRAZINE

C14H28N2O2 (256.2151)

tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate

C13H24N2O3 (256.1787)

N-[4-(DIMETHYLAMINO)BENZYL]-N-(4-METHOXYPHENYL)AMINE

C16H20N2O (256.1576)

ethyl 3-(4-hydroxypiperidin-1-yl)-3-methylpyrrolidine-1-carboxylate

C13H24N2O3 (256.1787)

ethyl 2-acetylundecanoate

C15H28O3 (256.2038)

citronellyl ethoxalate

C14H24O4 (256.1675)

PENTAERYTHRITOL TRIALLYL ETHER

C14H24O4 (256.1675)

methyl 3-oxotetradecanoate

C15H28O3 (256.2038)

tert-Butyl 4-[acetyl(Methyl)amino]piperidine-1-carboxylate

C13H24N2O3 (256.1787)

ISOPROPYL-PYRROLIDIN-3-YL-AMINE

C14H28N2O2 (256.2151)

5-Azaspiro[2.3]hexane ethanedioate (2:1)

C12H20N2O4 (256.1423)

1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 5-BROMO-1-(PHENYLSULFONYL)-

C13H24N2O3 (256.1787)

2-methylbut-2-ene,(3E)-penta-1,3-diene,prop-1-en-2-ylbenzene

C19H28 (256.2191)

(R)-(+)-1-BOC-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE

C13H24N2O3 (256.1787)

tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C13H24N2O3 (256.1787)

Nebostinel

C13H24N2O3 (256.1787)

2-Boc-7-oxo-8-oxa-2,6-diaza-spiro[4.5]decane

C12H20N2O4 (256.1423)

3-Morpholin-4-yl-pyrrolidine-1-carboxylic acid tert-butyl ester

C13H24N2O3 (256.1787)

1,1-bis(diethylamino)tetrafluoro-1-propene

C11H20F4N2 (256.1563)

3-(2-Methoxy-5-methylphenyl)-3-phenyl-1-propanol

C17H20O2 (256.1463)

tert-butyl 2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

C12H20N2O4 (256.1423)

1,1-BIS(4-HYDROXYPHENYL)PENTANE

C17H20O2 (256.1463)

2-Butenedioic acid (2Z)-, isodecyl ester

C14H24O4 (256.1675)

Tetradecylmagnesium chloride

C14H29ClMg (256.1808)

(1R)-(-)-NOPOL BENZYL ETHER

C18H24O (256.1827)

tert-butyl 4-(isobutylamino)piperidine-1-carboxylate

C14H28N2O2 (256.2151)

tert-Butyl 4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate

C13H24N2O3 (256.1787)

11-Oxahexadecan-16-olide

1,7-dioxacycloheptadecan-8-one

C15H28O3 (256.2038)

NCI-83633

Leucine-beta-naphthylamide

C16H20N2O (256.1576)

1,4-diazabicyclo[2.2.2]octane,2-ethylhexanoic acid

C14H28N2O2 (256.2151)

2-methyl-4-(piperidin-4-yloxymethyl)quinoline

C16H20N2O (256.1576)

1-BOC-4-DIMETHYLCARBAMOYLPIPERIDINE

C13H24N2O3 (256.1787)

1,4-bis[(2,3-epoxypropoxy)methyl]cyclohexane

C14H24O4 (256.1675)

Tert-butyl (1-(methoxy(methyl)amino)-1-oxopent-4-yn-2-yl)carbamate

C12H20N2O4 (256.1423)

4,4-METHYLENEBIS(2,5-DIMETHYLPHENOL)

C17H20O2 (256.1463)

(S)-1-MERCAPTOGLYCEROL

C14H28N2O2 (256.2151)

1-Boc-4-ethylpiperidine-4-carboxamide

C13H24N2O3 (256.1787)

(alphaR)-alpha-[[[2-(4-Aminophenyl)ethyl]amino]methyl]-benzenemethanol

C16H20N2O (256.1576)

(3ξ,4E,6S)-6-Isopropyl-3-methyl-3-hydroxy-9-oxo-4-decenoic acid

C14H24O4 (256.1675)

4-(4-AMino-3,5-diMethylphenoxy)-2,6-diMethylaniline

C16H20N2O (256.1576)

Mononmethyl succinate

C14H24O4 (256.1675)

t-BUTYL METHYLPHENOXY PHENOL

C17H20O2 (256.1463)

1,4-BUTANEDIOL BIS(β-AMINOCROTONATE)

C12H20N2O4 (256.1423)

12-oxahexadecanolide

C15H28O3 (256.2038)

3-Dimethylaminomethyl-1,2,3,4-tetrahydro-9-methylcarbazol-4-one

C16H20N2O (256.1576)

2-(3,3-diethoxyprop-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H25BO4 (256.1846)

3-[(Dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one

C16H20N2O (256.1576)

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]azetidine-3-carboxylic acid

C12H20N2O4 (256.1423)

terpinyl isovalerate

alpha-Terpinyl isovalerate

C15H28O3 (256.2038)

Flavouring ingredient

tetrahydrohexamethyl-as-indacen-3-one

C18H24O (256.1827)

2-[(4-methylpiperazin-1-yl)methyl]quinolin-6-amine

C15H20N4 (256.1688)

1-[(6-aminonaphthalen-2-yl)methyl]piperidin-4-ol

C16H20N2O (256.1576)

4,4-Methylenebis(2,6-dimethylphenol)

C17H20O2 (256.1463)

10-oxahexadecanolide

C15H28O3 (256.2038)

hepes (d18)

C8D18N2O4S (256.2117)

para-menthane-1,8-diol diacetate

C14H24O4 (256.1675)

2-ethylhexyl prop-2-enoate,prop-2-enoic acid

C14H24O4 (256.1675)

tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate

C13H24N2O3 (256.1787)

Bephenium

C17H22NO+ (256.1701)

P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents

6-{[(Cyclohexylamino)carbonyl]amino}hexanoic acid

C13H24N2O3 (256.1787)

Pentanamide, 2-amino-4-methyl-N-2-naphthalenyl-

C16H20N2O (256.1576)

17-Deoxyestradiol

C18H24O (256.1827)

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

1,4a-Dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

C19H28 (256.2191)

Methyl 13-oxotetradecanoate

C15H28O3 (256.2038)

L-Isoleucine beta-naphthylamide

C16H20N2O (256.1576)

2-(8-Tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)ethanol

C15H28O3 (256.2038)

4-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline

C15H20N4 (256.1688)

Trimethylsilyl 10-undecenoate

C14H28O2Si (256.1858)

Benzene, 1,1-[propylidenebis(oxymethylene)]bis-

C17H20O2 (256.1463)

1,1-Diphenyl-2-(trimethylsilyl)hydrazine

C15H20N2Si (256.1396)

5-Pentyl-2-phenoxyphenol

C17H20O2 (256.1463)

(2e)-3-(2-Oct-1-Yn-1-Ylphenyl)acrylic Acid

C17H20O2 (256.1463)

Tetradecanedioate

C14H24O4-2 (256.1675)

(2E,4E,6E,8E,10E,12E)-2,6,11-trimethyltetradeca-2,4,6,8,10,12-hexaenedial

C17H20O2 (256.1463)

(8beta,9beta)-6,8-Dimethylergolin-9-ol

C16H20N2O (256.1576)

L-N-(3-methylhex-2-enoyl)-glutamine

C12H20N2O4 (256.1423)

(2E,4E,6E,8E,10E,12E)-2,7,11-Trimethyl-2,4,6,8,10,12-tetradecahexenedial

C17H20O2 (256.1463)

6-dehydro-SCB3

C14H24O4 (256.1675)

N-ethyl-1,2-dimethyl-6-methylimino-N-phenylpyrimidin-4-amine

C15H20N4 (256.1688)

D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents

Dodecanoylglycinate

C14H26NO3- (256.1913)

Paecilopeptin

C13H24N2O3 (256.1787)

A natural product found in Paecilomyces carneus.

1-(2,6-dimethyl-1H-indol-3-yl)-2-(1-pyrrolidinyl)ethanone

C16H20N2O (256.1576)

L-pyrrolysinium

C12H22N3O3+ (256.1661)

An alpha-amino-acid cation that is the conjugate acid of L-pyrrolysine, obtained by deprotonation of the alpha-amino group.

(2E)-15-hydroxypentadec-2-enoic acid

C15H28O3 (256.2038)

An omega-hydroxy fatty acid that is trans-2-pentadecenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group.

N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide

C13H24N2O3 (256.1787)

N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide

C13H24N2O3 (256.1787)

N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide

C13H24N2O3 (256.1787)

N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide

C13H24N2O3 (256.1787)

(E)-2-(Hydroxymethyl)-3-[(1S,2R,5S)-5-(hydroxymethyl)-2-propan-2-ylcyclohexyl]prop-2-enoic acid

C14H24O4 (256.1675)

(2E,14R)-14-hydroxypentadec-2-enoic acid

C15H28O3 (256.2038)

An (omega-1)-hydroxy fatty acid that is trans-2-pentadecenoic acid in which the 14-pro-R hydrogen is replaced by a hydroxy group.

(Z,2R,3R,9S)-2-ethyl-3-hydroxy-9-methyl-8-oxoundec-5-enoic acid

C14H24O4 (256.1675)

Dimethyl-(3-phenoxypropyl)-phenylazanium

C17H22NO+ (256.1701)

2-Undecenoic acid, trimethylsilyl ester

C14H28O2Si (256.1858)

2-Dodecen-1-ol, (E)-, TMS derivative

C15H32OSi (256.2222)

1,2-Diphenylhydrazine, N-trimethylsilyl-

C15H20N2Si (256.1396)

2,2,6,6-Tetramethyl-5-((trimethylsilyl)oxy)hept-4-en-3-one

C14H28O2Si (256.1858)

1-Trideuteromethyl-4-(5-methoxycarbonylhexanoyl)piperazine

C13H24N2O3 (256.1787)

2-Methyl-6-oxo-6-(4-methylpiperazino)hexanoic acid methyl ester

C13H24N2O3 (256.1787)

[3-carboxy-2-[(2E,4E)-hexa-2,4-dienoyl]oxypropyl]-trimethylazanium

C13H22NO4+ (256.1549)

Para-menth-2,3-ylene diacetate

C14H24O4 (256.1675)

Dimethyl 2,5-dimethylperhydropyrrolo(3,4-C)pyrrole-3A,6A-dicarboxylate

C12H20N2O4 (256.1423)

4-Methyl-4-(p-tolyl)spiro[4.5]decan-1-one

C18H24O (256.1827)

3-Methyl-3-(p-tolyl)spiro[4.5]decan-1-one

C18H24O (256.1827)

Phenolic steroid

C18H24O (256.1827)

tetradecanedioate(2-)

C14H24O4 (256.1675)

A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of tetradecanedioic acid; major species at pH 7.3.

Monomenthyl succinate

C14H24O4 (256.1675)

5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid

C14H24O4 (256.1675)

(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid

C14H24O4 (256.1675)

N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine oxide

C16H20N2O (256.1576)

1beta,4beta,7alpha-Trihydroxyeudesmane

C15H28O3 (256.2038)

A eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 7.

4-oxo-pentadecanoic acid

C15H28O3 (256.2038)

N-dodecanoylglycinate

C14H26NO3 (256.1913)

An N-acylglycinate that is the conjugate base of N-dodecanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Chanoclavine-I

C16H20N2O (256.1576)

An organic tricyclic compound that is 1,3,4,5-tetrahydrobenzo[cd]indole which is substituted at position 4 by a methylamino group and at position 5 by a 3-hydroxy-2-methylprop-1-en-1-yl group (the 4R,5R,E diastereoisomer). It is a precursor of the tetracyclic ergolines agroclavine, elymoclavine and lysergic acid amide.

Hydroxypentadecenoic acid

C15H28O3 (256.2038)

14-Oxopentadecanoic acid

C15H28O3 (256.2038)

Oxopentadecanoic acid

C15H28O3 (256.2038)

Cyclo(Gln-Lys)

C11H20N4O3 (256.1535)

Cyclo(Lys-Lys)

C12H24N4O2 (256.1899)

Deoxy-estradiol

C18H24O (256.1827)

ST 18:3;O

C18H24O (256.1827)

4-[(1r,2s,5r)-5-ethenyl-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]phenol

C18H24O (256.1827)

6-(hydroxymethyl)-1-isopropyl-3a-methyl-octahydroazulene-1,2-diol

C15H28O3 (256.2038)

(1r,2s,3as,8ar)-6-(hydroxymethyl)-1-isopropyl-3a-methyl-octahydroazulene-1,2-diol

C15H28O3 (256.2038)

4-[5-ethenyl-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]phenol

C18H24O (256.1827)

pentadeca-5,7,13-trien-9,11-diyn-1-yl acetate

C17H20O2 (256.1463)

n,n,9-trimethyl-12-(methylimino)-3,5,11,13-tetraazatricyclo[8.3.0.0²,⁶]trideca-1,3,5,7,9-pentaen-4-amine

C13H16N6 (256.1436)

(1r,9r,13s)-13-ethenyl-11-methyl-1-(methylamino)-6-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-5-ol

C16H20N2O (256.1576)

(6z)-3-methyl-6-(3-methylbut-2-en-1-ylidene)-4,5-dihydro-1,3-benzodiazocin-7-ol

C16H20N2O (256.1576)

octadeca-9,16-dien-12,14-diynal

C18H24O (256.1827)

(3s,7r)-3,7,11-trimethyl-10-oxododecanoic acid

C15H28O3 (256.2038)

6,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecane-4,5,7-triol

C14H24O4 (256.1675)

(1s,4s,4as,5r,6s,8as)-6-isopropyl-4,8a-dimethyl-octahydronaphthalene-1,4,5-triol

C15H28O3 (256.2038)

(1s,2s,3s,4as,8as)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalene-2,3-diol

C15H28O3 (256.2038)

(1r,2s,3r)-3-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-1,2-dimethylcyclopentan-1-ol

C15H28O3 (256.2038)

(9s)-6-(hydroxymethyl)-9-(2-hydroxypropan-2-yl)-2-methylidenecyclodecan-1-ol

C15H28O3 (256.2038)

(1s,4r)-1-methyl-4-[(2s)-6-methylhept-5-en-2-yl]-1,2,3,4-tetrahydronaphthalene

C19H28 (256.2191)

(9s,10r)-16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,16-tetraen-5-ol

C16H20N2O (256.1576)

octadeca-8,10,14,16-tetraen-12-ynal

C18H24O (256.1827)

(1r,4s,4as,5r,6s,8ar)-6-isopropyl-4,8a-dimethyl-octahydronaphthalene-1,4,5-triol

C15H28O3 (256.2038)

(3e,5s,8s,14s)-5,8-dihydroxy-14-methyl-1-oxacyclotetradec-3-en-2-one

C14H24O4 (256.1675)

1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyl-hexahydro-1h-indene-4,7-diol

C15H28O3 (256.2038)

(3r)-6-[(1r,2s,3r)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-6-ene-2,3-diol

C15H28O3 (256.2038)

1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexane-1,2,4-triol

C15H28O3 (256.2038)

(1s,9s,10s)-16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,16-tetraen-5-ol

C16H20N2O (256.1576)

(1s,2s,4as,5s,8r,8ar)-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-octahydro-1h-naphthalene-1,5-diol

C15H28O3 (256.2038)

(1r,4s,4as,6s,8s,8ar)-4-isopropyl-1,6-dimethyl-octahydronaphthalene-1,8,8a-triol

C15H28O3 (256.2038)

7-isopropyl-1,4a-dimethyl-hexahydro-2h-naphthalene-1,6,7-triol

C15H28O3 (256.2038)

2-[(1-hydroxyethylidene)amino]-4-methyl-n-(3-methyl-1-oxobutan-2-yl)pentanimidic acid

C13H24N2O3 (256.1787)

13-hydroxyisobakuchiol

C18H24O (256.1827)

{"Ingredient_id": "HBIN001248","Ingredient_name": "13-hydroxyisobakuchiol","Alias": "NA","Ingredient_formula": "C18H24O","Ingredient_Smile": "CC(=CCCC(C)(C=C)C=CC1=CC=C(C=C1)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

2,8,10-heptadecatriene-4,6-diyne-1,14-diol; (2z,8e,10e,14ξ)-form,14-ketone

C17H20O2 (256.1463)

{"Ingredient_id": "HBIN005043","Ingredient_name": "2,8,10-heptadecatriene-4,6-diyne-1,14-diol; (2z,8e,10e,14\u03be)-form,14-ketone","Alias": "NA","Ingredient_formula": "C17H20O2","Ingredient_Smile": "NA","Ingredient_weight": "256.34","OB_score": "NA","CAS_id": "111128-28-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8802","PubChem_id": "NA","DrugBank_id": "NA"}

backuchiol

C18H24O (256.1827)

{"Ingredient_id": "HBIN017489","Ingredient_name": "backuchiol","Alias": "NA","Ingredient_formula": "C18H24O","Ingredient_Smile": "CC(=CCCC(C)(C=C)C=CC1=CC=C(C=C1)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2081","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

benzoicacid,4-isopropenylcyclo-hexenylmethylester

C17H20O2 (256.1463)

{"Ingredient_id": "HBIN017793","Ingredient_name": "benzoicacid,4-isopropenylcyclo-hexenylmethylester","Alias": "NA","Ingredient_formula": "C17H20O2","Ingredient_Smile": "CC(=C)C1CCC(=CC1)COC(=O)C2=CC=CC=C2","Ingredient_weight": "256.34 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "43041","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "570805","DrugBank_id": "NA"}