Exact Mass: 278.1095444
Exact Mass Matches: 278.1095444
Found 500 metabolites which its exact mass value is equals to given mass value 278.1095444
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dibenz[a,h]anthracene
D009676 - Noxae > D002273 - Carcinogens Dibenz[a,h]anthracene (DBA) is a polycyclic aromatic hydrocarbon (PAH) of considerable tumorigenicity. Dibenz[a,h]anthracene results in DNA adduct formation leading to the activation of a DNA damage response. Dibenz[a,h]anthracene induces cell cycle arrest and apoptosis via both Tp53-dependent and Tp53-independent mechanisms[1][2].
Dibenz[a,c]anthracene
Pentalenolactone F
A tetracyclic sesquiterpene lactone obtained by formal epoxidation of the 4-methylene group of pentalenolactone E.
Artecanin
Artecanin belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Artecanin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Artecanin can be found in sweet bay, which makes artecanin a potential biomarker for the consumption of this food product.
Marasmone
Marasmone is found in mushrooms. Marasmone is a constituent of Marasmius oreades (fairy ring mushroom) Constituent of Marasmius oreades (fairy ring mushroom). Marasmone is found in mushrooms.
Achimilic acid
Achimillic acid C is found in herbs and spices. Achimillic acid C is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). Achimillic acid B is found in herbs and spices.
Isomarasmone
Isomarasmone is found in mushrooms. Isomarasmone is a constituent of Marasmius oreades (fairy ring mushroom) Constituent of Marasmius oreades (fairy ring mushroom). Isomarasmone is found in mushrooms.
Solanolone
Solanolone is found in potato. Solanolone is a constituent of potato tubers infected with Phoma exigua var. foveata. Constituent of potato tubers infected with Phoma exigua variety foveata. Solanolone is found in potato.
11-Hydroxy-12-methoxydihydrokawain
11-Hydroxy-12-methoxydihydrokawain is found in beverages. 11-Hydroxy-12-methoxydihydrokawain is a constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide
2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide is found in herbs and spices. 2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide is isolated from Tanacetum vulgare (tansy). Isolated from Tanacetum vulgare (tansy). 2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide is found in herbs and spices.
N-(2-Hydroxyethyl)ethylenediaminetriacetic acid
C10H18N2O7 (278.11139579999997)
D064449 - Sequestering Agents > D002614 - Chelating Agents
N-(4-Aminobutyl)-2-Naphthalenesulfonamide
C14H18N2O2S (278.10889280000004)
Canin
Raxofelast
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Citflavanone
Citflavanone is a member of the class of compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Citflavanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Citflavanone can be found in sweet orange, which makes citflavanone a potential biomarker for the consumption of this food product.
11beta,13-Dihydrolactucin
A sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of lactucin. Found in chicory
1,13-Bis-O-desacetyl-1-oxoafraglaucolide
1,10:2,3-Diepoxy-4-hydroxy-11(13)-guaien-12,6-olide
(2E,6beta,8beta,9beta,10beta)-form-6,9-Dihydroxy-4-oxo-1(5),2,11(13)-xanthatrien-12,8-olide|6beta,9beta-dihydroxy-8-epi-xanthatin
4,5-dihydroxy-3-methyl-2-{[(3R)-tetrahydro-2,2-dimethyl-5-oxofuran-3-yl]methyl}benzaldehyde|lycifuranone B
(1alpha,4E,6alpha,8beta.10alpha,14alpha)-1,10:8,14-Diepoxy-14-hydroxy-4,11(13)-germacradien-12,6-olide
4beta,5beta-epoxyxanthatin-1alpha,44a-endoperoxide
2,3-Dimethyloxirane-2-carboxylic acid 2-(3-methyloxiran-2-yl)-4-methoxyphenyl ester
(1alpha,2beta,5alpha,6alpha,8alpha,10alpha)-1,10-Epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide
8,13-dihydroxy-1-oxo-germacra-4,7(11),10(14)-trien-6alpha,12-olide
15-hydroxygermacra-1(10),4-dien-(12,6);(14,8)-diolide
(S)-(-)-pulvilloric acid|(S)-8-Hydroxy-6-oxo-3-pentyl-4,6-dihydro-3H-isochromen-7-carbonsaeure|(S)-8-hydroxy-6-oxo-3-pentyl-4,6-dihydro-3H-isochromene-7-carboxylic acid|(S)-Pulvilloric acid
1-(2,2-Dimethyl-5,6-dimethoxy-7-hydroxy-2H-1-benzopyran-8-yl)ethanone
1-Oxo-2alpha,5alpha-peroxyeudesm-3-en-11betaH-12,6alpha-olide
1alpha,8alpha-dihydroxy-2-oxo-eudesman-3,7(11)-dien-8,12-olide|1alpha,8alpha-dihydroxy-2-oxo-eudesman-3,7(11)-dien-8beta,12-olide
8-(4-hydroxy-3-methylbutoxy)-7-methoxy-2H-chromen-2-one|deoxylacarol|desoxylacarol
8-oxo-2alpha-9-dihydroxy-trans,trans-germacra-1(10),4-dien-trans-6,12-olide
1-Oxo-8alpha-hydroxy-4alpha,5alpha-epoxyeudesm-2-en-11betaH-12,6alpha-olide|4alpha,5alpha-Epoxide-(6alpha,8alpha,11betaH)-8-Hydroxy-1-oxo-24-eudesmadien-12,6-olide
1,10-dioxo-1,10-deoxy-1,10-secogorgonolide|4-methyl-5-[(2S,3S,4S)-4-methyl-5-oxo-3-(3-oxobutyl)-tetrahydrofuran-2-yl]-cyclopent-4-ene-1,3-dione
1beta,4alpha-dihydroxy-2alpha,3alpha-epoxy-eudesma-7(11),8-dien-8,12-olide
6beta,8alpha-dihydroxy-1-oxoeremophila-7(11),9(10)-diene-12,8-olide
4-hydroxyphenethyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl)acetate
1,10-epoxy-4-germacrene-12,8:15,6-diolide|11beta,13-dihydrodeoxymikanolide
1alpha,4alpha,8alpha-trihydroxyguaia-2,9,11(13)-triene-12,6alpha-olide
7alpha,8alpha-epoxy-eremophilan-12beta,8beta(14beta,6alpha)-diolide
Ulopterol
Ulopterol is a natural product found in Coleonema album, Baccharis pedunculata, and other organisms with data available.
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
C15H18O5_(3S,3aR,4S,9aS,9bR)-4-Hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
C15H18O5_3H-2-Benzopyran-3-one, 1-(3-furanyl)-1,4,6,7,8,8a-hexahydro-4,6-dihydroxy-5,8a-dimethyl
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
(3E)-3-benzylidene-4-methyl-1H-1,4-benzodiazepine-2,5-dione
(3aR,4R,6E,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one [IIN-based: Match]
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one [IIN-based on: CCMSLIB00000848848]
(3aR,4R,6E,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde_major
8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one_major
11-Hydroxy-12-methoxydihydrokawain
Marasmone
Isomarasmone
2b,9X-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6a-olide
Achimilic acid
ethyl 6,7-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
Clidanac
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
benzyl 4-[amino(thiocarbonyl)]piperidine-1-carboxylate
C14H18N2O2S (278.10889280000004)
3-(4-METHOXY-PHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
2-(7-METHOXYQUINOLIN-4-YL)-1-(PYRIDIN-2-YL)ETHANONE
ETHYL 4-(4-FLUOROPHENYL)-1 2 3 4-TETRAH&
C14H15FN2O3 (278.10666519999995)
2-(4-NITROPHENYL)-4,4,5,5-TETRAMETHYLIMIDAZOLINE-3-OXIDE-1-OXYL
(3-NITRO-5-(PIPERIDINE-1-CARBONYL)PHENYL)BORONIC ACID
Bimakalim
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents C26170 - Protective Agent > C2079 - Cardioprotective Agent
3-METHYL-5-PHENOXY-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
8-(BENZO[D][1,3]DIOXOL-5-YL)-1,4-DIOXASPIRO[4.5]DECAN-8-OL
2-(TERT-BUTYL)-4,5,6-TRIMETHYL-3-NITROPHENYL ISOTHIOCYANATE
C14H18N2O2S (278.10889280000004)
2-(4,4-dimethyl-2-oxo-2,4-dihydro-1h-benzo[d][1,3]oxazin-6-yl)benzonitrile
3-(4,4-DIMETHYL-2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-6-YL)BENZONITRILE
3-O-BENZYL-1,2-O-ISOPROPYLIDENE-ALPHA-D-XYLO-PENTODIALDO-1,4-FURANOSE
3-(2-P-TOLYLIMIDAZO[1,2-A]PYRIDIN-3-YL)ACRYLICACID
Boronic acid,B-[6-(phenylmethoxy)-2-naphthalenyl]-
Phosphonic acid,P-(1-naphthalenylmethyl)-, diethyl ester
(1-Cbz-3-piperidine)carbothioamide
C14H18N2O2S (278.10889280000004)
(2z)-N-Biphenyl-4-Yl-2-Cyano-3-Hydroxybut-2-Enamide
Isosecotanapartholide
A sesquiterpene lactone isolated from Artemisia rutifolia and Artemisia iwayomogi and has been shown to inhibit nitric oxide synthase.
N-{[1,1-biphenyl]-4-yl}-5-methyl-1,2-oxazole-3-carboxamide
(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
4-(4-Hydroxy-3-Methylphenyl)-6-Phenylpyrimidin-2(5h)-One
1-(furan-3-yl)-4,6-dihydroxy-5,8a-dimethyl-4,6,7,8-tetrahydro-1H-isochromen-3-one
(1R,8R)-3,3-dimethyl-10,13-dioxo-11-oxatricyclo[6.5.0.01,5]tridec-6-ene-7-carboxylic acid
(1S,4aR,9aR)-8,8-dimethyl-3-oxospiro[4a,6a,7,9-tetrahydro-4H-pentaleno[6a,1-c]pyran-1,2-oxirane]-5-carboxylic acid
Monodictysin B
A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4 and 8 and methyl groups at positions 3 and 4a (the 1S,3S,4S,4aS,9aS stereoisomer). Isolated from the marine algicolous fungus Monodictys putredinis, it exhibits antineoplastic activity.
N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-2-furancarboxamide
C14H18N2O2S (278.10889280000004)
Benzo[k]tetraphene
D009676 - Noxae > D002273 - Carcinogens Dibenz[a,h]anthracene (DBA) is a polycyclic aromatic hydrocarbon (PAH) of considerable tumorigenicity. Dibenz[a,h]anthracene results in DNA adduct formation leading to the activation of a DNA damage response. Dibenz[a,h]anthracene induces cell cycle arrest and apoptosis via both Tp53-dependent and Tp53-independent mechanisms[1][2].
6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
N-(4-Aminobutyl)-2-Naphthalenesulfonamide
C14H18N2O2S (278.10889280000004)
2beta,9xi-Dihydroxy-8-oxo-1(10),4,11(13)-germacratrien-12,6alpha-olide
(3s,3ar,4r,9as,9br)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
(4s,11ar)-4-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-4h,5h,8h,9h,11ah-cyclodeca[b]furan-2,7-dione
(3ar,4s,11ar)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-6-carbaldehyde
(12r,14r)-9,12-dihydroxy-4,8,14-trimethyl-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-3-one
(3s,3as,4s,4as,7as,8s,9ar)-4-hydroxy-4a,8-dimethyl-3a,4,7a,8,9,9a-hexahydrospiro[azuleno[6,5-b]furan-3,2'-oxirane]-2,5-dione
(3ar,4s,6as,9ar,9bs)-6a-hydroperoxy-4-hydroxy-9-methyl-3,6-dimethylidene-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
3-[(2-methyl-3,5-dioxocyclopent-1-en-1-yl)methyl]-2-methylidene-6-oxoheptanoic acid
4,6a,9-trihydroxy-9-methyl-3,6-dimethylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
(3as,6r,6as,9ar,9bs)-6,9a-dihydroxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,6ah,9bh-azuleno[4,5-b]furan-2,7-dione
4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
3-methylbutanoyl (2z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(1s,4r,6s,12s,15r)-4-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.0¹,⁶.0¹²,¹⁵]pentadec-8-ene-2,14-dione
1,6,7,10-tetrahydroxy-3-methyl-6,7,8,8a,10,10a-hexahydro-5h-anthracen-9-one
(1s,3s,8s,12s,15s)-8-hydroxy-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadec-2(6)-ene-4,13-dione
8-(4-hydroxy-3-methylbutoxy)-7-methoxychromen-2-one
4-methyl-5-[4-methyl-5-oxo-3-(3-oxobutyl)oxolan-2-yl]cyclopent-4-ene-1,3-dione
(3r)-3-hydroxy-4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-3h-2-benzofuran-1-one
(2r,2'r,3's,5'r,7'r,9's,12'r)-2'-hydroxy-7'-methyl-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one
(4as,8s,8ar,9as)-8,9a-dihydroxy-3,5,8a-trimethyl-4h,4ah,8h,9h-naphtho[2,3-b]furan-2,7-dione
(1s,3r,6e,8r,12s,13s,15s)-15-hydroxy-6-methyl-11-methylidene-2,9,14-trioxatetracyclo[11.2.1.0¹,³.0⁸,¹²]hexadec-6-en-10-one
(1s,4s,5r,7s,8z,11s)-4-hydroxy-4,9-dimethyl-14-methylidene-6,12-dioxatricyclo[9.3.0.0⁵,⁷]tetradec-8-ene-10,13-dione
3-[(2s,3z,5r,6e,8e)-1,2-dihydroxydeca-3,6,8-trien-5-yl]-4-hydroxy-5-methylidenefuran-2-one
1-[(2r,3s)-6-hydroxy-3,7-dimethoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(3s)-3,9-dihydroxy-7,7-dimethyl-1h,3h,4h,6h,8h-indeno[5,6-c]pyran-5-carboxylic acid
(3as,4s,6as,9ar,9bs)-6a-hydroperoxy-4-hydroxy-6,9-dimethyl-3-methylidene-3ah,4h,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
(3as,4s,6as,9ar,9bs)-6a-hydroperoxy-4-hydroxy-9-methyl-3,6-dimethylidene-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
(1s,2r,5s,9s,10s,11s)-2-hydroxy-2,11-dimethyl-6-methylidene-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-7-one
3,5-dihydroxy-7-methoxy-6-methyl-4-(3-methylbut-2-en-1-yl)-3h-2-benzofuran-1-one
5-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]-7-methoxy-6-methyl-3h-2-benzofuran-1-one
4,9-dihydroxy-3,4a-dimethyl-4h,5h,6h,7h,8h-naphtho[2,3-b]furan-5-carboxylic acid
(3ar,4as,6r,7ar,8r,9as)-4a,6-dihydroxy-3,5-dimethylidene-hexahydro-3ah-spiro[azuleno[6,5-b]furan-8,2'-oxiran]-2-one
(4r,12r,14r)-9,12-dihydroxy-4,8,14-trimethyl-6,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-3-one
6,9a-dihydroxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,6ah,9bh-azuleno[4,5-b]furan-2,7-dione
(3s,4ar,5s,10ar)-5,9-dihydroxy-7-methoxy-3-methyl-1h,3h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
(3r,4s)-7-hydroxy-3,4,5-trimethyl-7-(2-oxopropyl)-3,4-dihydro-2-benzopyran-6,8-dione
(4s,5s)-5-[(1s,2s)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
(3r,5s)-5-(hydroxymethyl)-10-(4-methylpent-3-en-1-yl)-4,8-dioxatricyclo[5.3.0.0³,⁵]dec-1(10)-ene-2,9-dione
(3ar,4r,5ar,6r,9bs)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione
1-[6-hydroxy-3,7-dimethoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
2-hydroxy-4-methyl-3-(phenylmethylidene)-1,4-benzodiazepin-5-one
(3s,4s,5s)-5-[(3r)-3-hydroxy-2-methyl-5-oxocyclopent-1-en-1-yl]-3-methyl-4-[(1e)-3-oxobut-1-en-1-yl]oxolan-2-one
6,7,11-trihydroxy-2,10,10-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undec-1(8)-ene-4,9-dione
9-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-4h,5h,8h,9h,11ah-cyclodeca[b]furan-2,7-dione
4,6-dihydroxy-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9bh-naphtho[1,2-b]furan-2,8-dione
2α,8α一Dihydroxy一lα,10α一ePoxyguaia一3,11(13)一diene一12,6α一olid
{"Ingredient_id": "HBIN005255","Ingredient_name": "2\u03b1,8\u03b1\u4e00Dihydroxy\u4e00l\u03b1,10\u03b1\u4e00ePoxyguaia\u4e003,11(13)\u4e00diene\u4e0012,6\u03b1\u4e00olid","Alias": "NA","Ingredient_formula": "C15H18O5","Ingredient_Smile": "CC1=CC(C23C1C4C(C(CC2(O3)C)O)C(=C)C(=O)O4)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42358","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)e,4e,6α,8β)-form,4α,5β-epoxide
{"Ingredient_id": "HBIN013756","Ingredient_name": "8-hydroxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)e,4e,6\u03b1,8\u03b2)-form,4\u03b1,5\u03b2-epoxide","Alias": "NA","Ingredient_formula": "C15H18O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7356","PubChem_id": "NA","DrugBank_id": "NA"}
Artelin
{"Ingredient_id": "HBIN016941","Ingredient_name": "Artelin","Alias": "NA","Ingredient_formula": "C15H18O5","Ingredient_Smile": "NA","Ingredient_weight": "278.3","OB_score": "41.23253155","CAS_id": "66173-52-2","SymMap_id": "SMIT07954","TCMID_id": "NA","TCMSP_id": "MOL006311","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}