Exact Mass: 616.274
Exact Mass Matches: 616.274
Found 280 metabolites which its exact mass value is equals to given mass value 616.274
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
magnesium;3-[(21S,22S)-26-ethyl-16-(1-hydroxyethyl)-12,17,21-trimethyl-11-(2-methylpropyl)-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid
Casopitant
2-((2-Methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl 4-(2-(2-(9H-fluoren-9-yl)acetamido)ethyl)benzoate
5,10,15,20-Tetraphenyl-21,22,23,24-tetrahydroporphyrin
131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester
1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha-(2)-methylbutyroyloxy-4beta-hydroxy-dihydro-beta-agarofuran
(1S,2R,3R,4R,7R,8S,10S,13S,17R)-3-(acetyloxy)-17-(furan-3-yl)hexadecahydro-1,2,7-trihydroxy-4,8,13-trimethyl-11,15-dioxo-4,10-(methanooxymethano)cyclopenta[a]phenanthren-20-yl 2-methylbutanoate|1,3-epi-29-[(2-methylbutanoyl)oxy]-2alpha-hydroxyamoorastatone
6-acetoxytropan-3-yl 6-hydroxytropan-3-yl truxillate
1beta-(alpha-methyl)-butanoyloxy-2beta,6alpha,13-triacetoxy-9beta-benzoyloxy-beta-dihydroagarofuran
cyclo(glycyl-L-prolylglycyl-L-prolylglycyl-L-prolylglycyl-L-prolyl)|cyclo(L-Pro-Gly)4|cyclo(L-ProGly)4|Cyclo(L-prolylglycyl)4|cyclo-(glycyl->-L-prolyl->-glycyl->-L-prolyl->-glycyl->-L-prolyl->-glycyl->-L-prolyl)
16-O-pentadeca-2,4,6,8,10,12,14-heptaenoyl-13-O-acetyl-12-deoxyphorbol
7-acetyl-11beta-acetoxy-1-epidihydronomilin|toonin A
6,7-dihydroxy-hardwickiic acid 2-beta-D-glucopyranosylbenzyl ester
5-(2-{2-(3,6-diamino-hexanoylamino)-O5,O6-[2-(2-hydroxy-propoxy)-propane-1,1-diyl]-2-deoxy-hexofuranosylamino}-4,5-dihydro-1H-imidazol-4-yl)-5-hydroxy-dihydro-pyrimidine-2,4-dione|Racemomycin-O
n-Octyl 3,6-Di-O-(alpha-D-mannopyranosyl)-beta-D-mannopyranoside
3-3Linked-(2-hydroxy-4-O-isoprenylchalcone)-(2-hydroxy-4-O-isoprenyl dihydrochalcone)
Glu Pro Trp Trp
Glu Trp Pro Trp
Glu Trp Trp Pro
Phe His Lys Trp
Phe His Gln Trp
Phe His Trp Lys
Phe His Trp Gln
Phe Lys His Trp
Phe Lys Trp His
Phe Gln His Trp
Phe Gln Trp His
Phe Trp His Lys
Phe Trp His Gln
Phe Trp Lys His
Phe Trp Gln His
His Phe Lys Trp
His Phe Gln Trp
His Phe Trp Lys
His Phe Trp Gln
His Lys Phe Trp
His Lys Trp Phe
His Gln Phe Trp
His Gln Trp Phe
His Trp Phe Lys
His Trp Phe Gln
His Trp Lys Phe
His Trp Gln Phe
Lys Phe His Trp
Lys Phe Trp His
Lys His Phe Trp
Lys His Trp Phe
Lys Trp Phe His
Lys Trp His Phe
Pro Glu Trp Trp
Pro Trp Glu Trp
Pro Trp Trp Glu
Gln Phe His Trp
Gln Phe Trp His
Gln His Phe Trp
Gln His Trp Phe
Gln Gln Arg Trp
Gln Gln Trp Arg
Gln Arg Gln Trp
Gln Arg Trp Gln
Gln Trp Phe His
Gln Trp His Phe
Gln Trp Gln Arg
Gln Trp Arg Gln
Arg Gln Gln Trp
Arg Gln Trp Gln
Arg Trp Gln Gln
Trp Glu Pro Trp
Trp Glu Trp Pro
Trp Phe His Lys
Trp Phe His Gln
Trp Phe Lys His
Trp Phe Gln His
Trp His Phe Lys
Trp His Phe Gln
Trp His Lys Phe
Trp His Gln Phe
Trp Lys Phe His
Trp Lys His Phe
Trp Pro Glu Trp
Trp Pro Trp Glu
Trp Gln Phe His
Trp Gln His Phe
Trp Gln Gln Arg
Trp Gln Arg Gln
Trp Arg Gln Gln
Trp Trp Glu Pro
Trp Trp Pro Glu
Fe Sat DFO
5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
Casopitant
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
(16alpha,20R)-20,24-epoxy-2,16-dihydroxy-25,26,27-trinorcucurbita-1,5,23-triene-3,11,22-trione 2-O-beta-Dglucopyranoside
A triterpenoid saponin of the class of cucurbitane glycosides isolated from Machilus yaoshansis.
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxybutanediamide;iron(3+)
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds
(31R)-8,12-diethyl-71-hydroxybacteriochlorophyllide c
Desferal-iron(III)
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D006401 - Hematologic Agents > D006397 - Hematinics > D005290 - Ferric Compounds
5,10,15,20-Tetraphenyl-22,24-dihydro-21H,23H-porphyrin
trigoheterin D, (rel)-
A natural product found in Trigonostemon heterophyllus.
2-[(2R,4aR,12aS)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
2-[(2R,4aS,12aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
2-[(2S,4aS,12aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2R,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2R,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2R,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
2-[(2R,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aS,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2R,4aS,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
1-(4-fluorophenyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
(3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
2-[(2S,4aR,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
2-[(2S,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
3-[(2Z,3S,4S)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-2-[(5R)-2-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-5-methoxycarbonyl-3-methyl-4-oxo-1H-cyclopenta[b]pyrrol-6-ylidene]-4-methyl-3,4-dihydropyrrol-3-yl]propanoic acid
(R)-Casopitant
(R)-Casopitant ((R)-GW679769) is the isomer of Casopitant (HY-14405). Casopitant is a NK(1)-receptor antagonist. Casopitant can be used for the research of chemotherapy-induced nausea and vomiting[1][2].
(1s,2r,4s,7s,8s,10s,11r,12r,13s,18r,20r)-13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate
5-{1-[6-(5-bromo-2,6,6-trimethyloxan-2-yl)-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-hydroxyethyl}-2-(3-methoxy-4-methylpent-4-en-1-yl)-2-methyloxolan-3-ol
1,3-ditrimethylsilyl 2,4-bis({4-[(trimethylsilyl)oxy]phenyl})cyclobutane-1,3-dicarboxylate
(4ar,4br,7r,8r,8as,9r)-4a,7-dimethyl-2-oxo-8-[(4r)-3-oxo-4-[(1s,3r,5r)-5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]pentyl]-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-yl acetate
(1r,2r,4s,5s,6s,10r,11s,12r,15r,16r,18s,19r)-4-(acetyloxy)-6-(furan-3-yl)-11,16-dihydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadec-8-en-18-yl (2e)-3-phenylprop-2-enoate
methyl 5-ethenyl-4-(2-{[3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1s)-1-[(1s,3ar,3bs,7s,9ar,9br,11r,11ar)-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-11-{[(2e)-3-phenylprop-2-enoyl]oxy}-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl benzoate
(1s,2r,5s,6s,8r,10r,11s,12r,14r,15r,16r,19r,20r,21s)-21-(acetyloxy)-6-(furan-3-yl)-12,19,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl (2r)-2-methylbutanoate
13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate
methyl 4-(2-{[(4r,4as,6s,7r,7as)-3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
[(1s,2r,3r,4s,5s,6r,7r,8s,9s,10s,13s,16s,17r,18s)-11-formyl-7,9-dihydroxy-4,6,8,16,18-pentamethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate
(1s,2s,3s,5r,6r,9r,10r,12s,14r,16r,18s,20r,22s,23s,25r)-3,9,23-trihydroxy-1,5,20-trimethyl-4-oxo-6-(6-oxopyran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosan-22-yl acetate
1-hydroxy-9a,11a-dimethyl-7-oxo-1-(1-{5,6,6-trimethyl-1-[2-(methylsulfanyl)-2-oxoethyl]-2,7,8-trioxabicyclo[3.2.1]octan-3-yl}ethyl)-2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
21-(acetyloxy)-6-(furan-3-yl)-12,19,20-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate
(2s,3r,5r)-5-[(1r)-1-[(2s,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-hydroxyethyl]-2-[(3r)-3-methoxy-4-methylpent-4-en-1-yl]-2-methyloxolan-3-ol
(1s,2s,4s,7r,9r,11s,13r,14s,15r,16s,17r)-4,15-bis(acetyloxy)-14-hydroxy-11-methoxy-2,14,17-trimethyl-3-oxo-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl 2h-1,3-benzodioxole-5-carboxylate
12-hydroxyvilasinin
{"Ingredient_id": "HBIN000888","Ingredient_name": "12-hydroxyvilasinin","Alias": "NA","Ingredient_formula": "C37H44O8","Ingredient_Smile": "NA","Ingredient_weight": "616.75","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9361","PubChem_id": "NA","DrugBank_id": "NA"}
3-3''linked-(2'-hydroxy-4-o-isoprenylchalcone)-(2'''-hydroxy-4''-o-isoprenyl dihydrochalcone)
{"Ingredient_id": "HBIN007201","Ingredient_name": "3-3''linked-(2'-hydroxy-4-o-isoprenylchalcone)-(2'''-hydroxy-4''-o-isoprenyl dihydrochalcone)","Alias": "NA","Ingredient_formula": "C40H40O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "12884","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-epi-19-hydroxybaccatin b5677iii
{"Ingredient_id": "HBIN013168","Ingredient_name": "7-epi-19-hydroxybaccatin b5677iii","Alias": "NA","Ingredient_formula": "C32H40O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25796","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
azecin 4
{"Ingredient_id": "HBIN017444","Ingredient_name": "azecin 4","Alias": "NA","Ingredient_formula": "C33H44O11","Ingredient_Smile": "CC(=O)OC1CC2C(C(C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)OC7C(C(C(CO7)O)O)O)(C)C","Ingredient_weight": "616.7","OB_score": "NA","CAS_id": "182565-81-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6454","PubChem_id": "102150317","DrugBank_id": "NA"}
azedarachin a
{"Ingredient_id": "HBIN017445","Ingredient_name": "azedarachin a","Alias": "NA","Ingredient_formula": "C33H44O11","Ingredient_Smile": "CCC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(CC2OC(=O)C)O)C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)O)C)O)C","Ingredient_weight": "616.7","OB_score": "NA","CAS_id": "157622-62-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6453","PubChem_id": "101930511","DrugBank_id": "NA"}