Exact Mass: 462.193681
Exact Mass Matches: 462.193681
Found 500 metabolites which its exact mass value is equals to given mass value 462.193681
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
13-Hydroxy-5'-O-methylmelledonal
13-Hydroxy-5-O-methylmelledonal is found in mushrooms. 13-Hydroxy-5-O-methylmelledonal is a metabolite of Armillaria mellea (honey mushroom Metabolite of Armillaria mellea (honey mushroom). 13-Hydroxy-5-O-methylmelledonal is found in mushrooms.
Retrocalamin
Retrocalamin is found in citrus. Retrocalamin is a constituent of calamondin seeds (Citrus reticulata). Constituent of calamondin seeds (Citrus reticulata). Retrocalamin is found in citrus.
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide
Cilligen
eupalinolide A
Eupalinolide A, isolated from Eupatorium lindleyanum, induces the expression of HSP70 via the activation of HSF1 by inhibiting the interaction between HSF1 and HSP90[1]. Eupalinolide A, isolated from Eupatorium lindleyanum, induces the expression of HSP70 via the activation of HSF1 by inhibiting the interaction between HSF1 and HSP90[1]. Eupalinolide B is a germacrane sesquiterpene isolated from Eupatorium lindleyanum. Eupalinolide B demonstrates potent cytotoxicity against A-549, BGC-823 and HL-60 tumour cell lines[1]. Eupalinolide B is a germacrane sesquiterpene isolated from Eupatorium lindleyanum. Eupalinolide B demonstrates potent cytotoxicity against A-549, BGC-823 and HL-60 tumour cell lines[1].
Eupalinolide
Eupalinolide A, isolated from Eupatorium lindleyanum, induces the expression of HSP70 via the activation of HSF1 by inhibiting the interaction between HSF1 and HSP90[1]. Eupalinolide A, isolated from Eupatorium lindleyanum, induces the expression of HSP70 via the activation of HSF1 by inhibiting the interaction between HSF1 and HSP90[1]. Eupalinolide B is a germacrane sesquiterpene isolated from Eupatorium lindleyanum. Eupalinolide B demonstrates potent cytotoxicity against A-549, BGC-823 and HL-60 tumour cell lines[1]. Eupalinolide B is a germacrane sesquiterpene isolated from Eupatorium lindleyanum. Eupalinolide B demonstrates potent cytotoxicity against A-549, BGC-823 and HL-60 tumour cell lines[1].
7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one
3beta-hydroxy-8alpha-(2,3-diacetoxy-2-methylbutyryloxy)-eremanthin|3beta-hydroxy-8alpha-<2,3-diacetoxy-2-methylbutyryloxy>-eremanthin
(+)-arborone|3-hydroxymethyl-4-(3,4,5-trimethoxybenzoyl)-2-(3,4,5-trimethoxyphenyl)-2,3-cis-3,4-trans-tetrahydrofuran
6-acetyl-10-hydroxy-teucjaponin B|6-acetyl-10-hydroxyteucjaponin B
(1S*,2R*,3R*,5Z,7S*,8R*,9S*,10S*,11R*,13Z,17R*)-2,3-diacetoxy-8,17-epoxy-9-hydroxybriara-5,13-diene-12,18-dione|excavatolide Q
(7S,8R)-3,3-didemethoxydihydrodehydrodiconiferyl alcohol 4-O-beta-D-glucopyranoside|isocupressoside B
salvicin B|[(2S,3R,4R)-4-hydroxy-4-(4-hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydro-3-furanyl]methyl 4-hydroxy-butanoate
(7R,8S)-8-methyl-9-oxo-7-(3,4,5-trimethoxyphenyl)butyl 3,4,5-trimethoxybenzoate|tsangin C
2-{1-[(2R,3S)-2,3-dihydro-3-hydroxymethyl-5-(3-hydroxypropyl)-7-methoxy-2-benzofuranyl]-3-methoxy-4-phenoxy}-3-hydroxypropanoic acid methyl ester|dunnianeolignan B
1-(3,4-Dihydroxyphenyl)-3,5-diacetoxy-7-(3,4-dihydroxy-5-methoxyphenyl)heptane
(5S)-1-(3,4-dihydroxyphenyl)-5-hydroxy-7-(4-hydroxyphenyl)-3-heptanone-5-O-beta-D-xylopyranoside|(5S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-(beta-D-xylopyranosyloxy)heptan-3-one|1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone-5-O-beta-D-xylopyranose|alnuside A|alnuside B
2alpha,13-diacetoxy-4-hydroxy-8alpha-tigloyloxybourbonen-12,6alpha-olide|2alpha,13-diacetoxy-4alpha-hydroxy-8alpha-tigloyloxybourbonen-12,6alpha-olide
1,1-Dibenzene-6,8,9-trihydroxy-3-allyl-4-O-??-D-glucopyranoside
3beta-acetoxy-8beta-(4-acetoxytigloyloxy)-14-hydroxycostunolide
magnolignan A 2-O-beta-D-glucopyranoside|magnolignan A-2-O-beta-D-glucopyranoside
3-deacetyl-20-epi-teulanigin|3-deacetyl-20-epieulanigin
Asp Ile Ser Glu
7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one
Ala Cys Asn Arg
Ala Cys Arg Asn
Ala Met Asn Gln
Ala Met Gln Asn
Ala Asn Cys Arg
Ala Asn Met Gln
Ala Asn Gln Met
Ala Asn Arg Cys
Ala Gln Met Asn
Ala Gln Asn Met
Ala Arg Cys Asn
Ala Arg Asn Cys
Cys Ala Asn Arg
Cys Ala Arg Asn
Cys Phe Pro Pro
Cys Gly Gln Arg
Cys Gly Arg Gln
Cys Ile Met Pro
Cys Ile Asn Asn
Cys Ile Pro Met
Cys Leu Met Pro
Cys Leu Asn Asn
Cys Leu Pro Met
Cys Met Ile Pro
Cys Met Leu Pro
Cys Met Pro Ile
Cys Met Pro Leu
Cys Asn Ala Arg
Cys Asn Ile Asn
Cys Asn Leu Asn
Cys Asn Asn Ile
Cys Asn Asn Leu
Cys Asn Gln Val
Cys Asn Arg Ala
Cys Asn Val Gln
Cys Pro Phe Pro
Cys Pro Ile Met
Cys Pro Leu Met
Cys Pro Met Ile
Cys Pro Met Leu
Cys Pro Pro Phe
Cys Gln Gly Arg
Cys Gln Asn Val
Cys Gln Arg Gly
Cys Gln Val Asn
Cys Arg Ala Asn
Cys Arg Gly Gln
Cys Arg Asn Ala
Cys Arg Gln Gly
Cys Val Asn Gln
Cys Val Gln Asn
Asp Asp Ile Thr
Asp Asp Leu Thr
Asp Asp Thr Ile
Asp Asp Thr Leu
Asp Glu Ile Ser
Asp Glu Leu Ser
Asp Glu Ser Ile
Asp Glu Ser Leu
Asp Glu Thr Val
Asp Glu Val Thr
Asp Ile Asp Thr
Asp Ile Glu Ser
Asp Ile Thr Asp
Asp Leu Asp Thr
Asp Leu Glu Ser
Asp Leu Ser Glu
Asp Leu Thr Asp
Asp Ser Glu Ile
Asp Ser Glu Leu
Asp Ser Ile Glu
Asp Ser Leu Glu
Asp Thr Asp Ile
Asp Thr Asp Leu
Asp Thr Glu Val
Asp Thr Ile Asp
Asp Thr Leu Asp
Asp Thr Val Glu
Asp Val Glu Thr
Asp Val Thr Glu
Glu Asp Ile Ser
Glu Asp Leu Ser
Glu Asp Ser Ile
Glu Asp Ser Leu
Glu Asp Thr Val
Glu Asp Val Thr
Glu Glu Ser Val
Glu Glu Val Ser
Glu Ile Asp Ser
Glu Ile Ser Asp
Glu Leu Asp Ser
Glu Leu Ser Asp
Glu Ser Asp Ile
Glu Ser Asp Leu
Glu Ser Glu Val
Glu Ser Ile Asp
Glu Ser Leu Asp
Glu Ser Val Glu
Glu Thr Asp Val
Glu Thr Val Asp
Glu Val Asp Thr
Glu Val Glu Ser
Glu Val Ser Glu
Glu Val Thr Asp
Phe Cys Pro Pro
Phe Pro Cys Pro
Phe Pro Pro Cys
Gly Cys Gln Arg
Gly Cys Arg Gln
Gly Met Gln Gln
Gly Gln Cys Arg
Gly Gln Met Gln
Gly Gln Gln Met
Gly Gln Arg Cys
Gly Arg Cys Gln
Gly Arg Gln Cys
Ile Cys Met Pro
Ile Cys Asn Asn
Ile Cys Pro Met
Ile Asp Asp Thr
Ile Asp Glu Ser
Ile Asp Ser Glu
Ile Asp Thr Asp
Ile Glu Asp Ser
Ile Glu Ser Asp
Ile Met Cys Pro
Ile Met Pro Cys
Ile Asn Cys Asn
Ile Asn Asn Cys
Ile Pro Cys Met
Ile Pro Met Cys
Ile Ser Asp Glu
Ile Ser Glu Asp
Ile Thr Asp Asp
Leu Cys Met Pro
Leu Cys Asn Asn
Leu Cys Pro Met
Leu Asp Asp Thr
Leu Asp Glu Ser
Leu Asp Ser Glu
Leu Asp Thr Asp
Leu Glu Asp Ser
Leu Glu Ser Asp
Leu Met Cys Pro
Leu Met Pro Cys
Leu Asn Cys Asn
Leu Asn Asn Cys
Leu Pro Cys Met
Leu Pro Met Cys
Leu Ser Asp Glu
Leu Ser Glu Asp
Leu Thr Asp Asp
Met Ala Asn Gln
Met Ala Gln Asn
Met Cys Ile Pro
Met Cys Leu Pro
Met Cys Pro Ile
Met Cys Pro Leu
Met Gly Gln Gln
Met Ile Cys Pro
Met Ile Pro Cys
Met Leu Cys Pro
Met Leu Pro Cys
Met Asn Ala Gln
Met Asn Gln Ala
Met Pro Cys Ile
Met Pro Cys Leu
Met Pro Ile Cys
Met Pro Leu Cys
Met Gln Ala Asn
Met Gln Gly Gln
Met Gln Asn Ala
Met Gln Gln Gly
Asn Ala Cys Arg
Asn Ala Met Gln
Asn Ala Gln Met
Asn Ala Arg Cys
Asn Cys Ala Arg
Asn Cys Ile Asn
Asn Cys Leu Asn
Asn Cys Asn Ile
Asn Cys Asn Leu
Asn Cys Gln Val
Asn Cys Arg Ala
Asn Cys Val Gln
Asn Ile Cys Asn
Asn Ile Asn Cys
Asn Leu Cys Asn
Asn Leu Asn Cys
Asn Met Ala Gln
Asn Met Gln Ala
Asn Asn Cys Ile
Asn Asn Cys Leu
Asn Asn Ile Cys
Asn Asn Leu Cys
Asn Gln Ala Met
Asn Gln Cys Val
Asn Gln Met Ala
Asn Gln Val Cys
Asn Arg Ala Cys
Asn Arg Cys Ala
Asn Val Cys Gln
Asn Val Gln Cys
Pro Cys Phe Pro
Pro Cys Ile Met
Pro Cys Leu Met
Pro Cys Met Ile
Pro Cys Met Leu
Pro Cys Pro Phe
Pro Phe Cys Pro
Pro Phe Pro Cys
Pro Ile Cys Met
Pro Ile Met Cys
Pro Leu Cys Met
Pro Leu Met Cys
Pro Met Cys Ile
Pro Met Cys Leu
Pro Met Ile Cys
Pro Met Leu Cys
Pro Pro Cys Phe
Pro Pro Phe Cys
Gln Ala Met Asn
Gln Ala Asn Met
Gln Cys Gly Arg
Gln Cys Asn Val
Gln Cys Arg Gly
Gln Cys Val Asn
Gln Gly Cys Arg
Gln Gly Met Gln
Gln Gly Gln Met
Gln Gly Arg Cys
Gln Met Ala Asn
Gln Met Gly Gln
Gln Met Asn Ala
Gln Met Gln Gly
Gln Asn Ala Met
Gln Asn Cys Val
Gln Asn Met Ala
Gln Asn Val Cys
Gln Gln Gly Met
Gln Gln Met Gly
Gln Arg Cys Gly
Gln Arg Gly Cys
Gln Val Cys Asn
Gln Val Asn Cys
Arg Ala Cys Asn
Arg Ala Asn Cys
Arg Cys Ala Asn
Arg Cys Gly Gln
Arg Cys Asn Ala
Arg Cys Gln Gly
Arg Gly Cys Gln
Arg Gly Gln Cys
Arg Asn Ala Cys
Arg Asn Cys Ala
Arg Gln Cys Gly
Arg Gln Gly Cys
Ser Asp Glu Ile
Ser Asp Glu Leu
Ser Asp Ile Glu
Ser Asp Leu Glu
Ser Glu Asp Ile
Ser Glu Asp Leu
Ser Glu Glu Val
Ser Glu Ile Asp
Ser Glu Leu Asp
Ser Glu Val Glu
Ser Ile Asp Glu
Ser Ile Glu Asp
Ser Leu Asp Glu
Ser Leu Glu Asp
Ser Val Glu Glu
Thr Asp Asp Ile
Thr Asp Asp Leu
Thr Asp Glu Val
Thr Asp Ile Asp
Thr Asp Leu Asp
Thr Asp Val Glu
Thr Glu Asp Val
Thr Glu Val Asp
Thr Ile Asp Asp
Thr Leu Asp Asp
Thr Val Asp Glu
Thr Val Glu Asp
Val Cys Asn Gln
Val Cys Gln Asn
Val Asp Glu Thr
Val Asp Thr Glu
Val Glu Asp Thr
Val Glu Glu Ser
Val Glu Ser Glu
Val Glu Thr Asp
Val Asn Cys Gln
Val Asn Gln Cys
Val Gln Cys Asn
Val Gln Asn Cys
Val Ser Glu Glu
Val Thr Asp Glu
Val Thr Glu Asp
Tyr His Ser Gly
Tyr Ser Gly His
Tyr Ser His Gly
13-Hydroxy-5'-O-methylmelledonal
Retrocalamin
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-oxo-3-heptanyl ?-D-xylopyranoside
1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene,2-methyloxirane,oxirane,propane-1,2,3-triol,hydrate
Spiro[isobenzofuran-1(3H),9-[9H]xanthen]-3-one,6-(diethylamino)-2-(phenylamino)-
C30H26N2O3 (462.19433260000005)
Mapracorat
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
(3-(4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone
C25H26N4O5 (462.19031060000003)
16alpha-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
5-Oxo-prolyl-glycyl-arginine-4-nitroanilide
Asp-Leu-Thr-Asp
A tetrapeptide composed of L-aspartic acid, L-leucine, L-threonine and L-aspartic acid joined in sequence by peptide linkages.
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-methylphenyl)methyl]-5-thieno[3,2-b]pyrrolecarboxamide
C27H30N2O3S (462.19770300000005)
3-hydroxy-17-oxoestra-1,3,5(10)-trien-2-yl beta-D-glucopyranosiduronic acid
3-hydroxy-17-oxoestra-1,3,5(10)-trien-4-yl beta-D-glucopyranosiduronic acid
N-[(Z)-3-[3-(dimethylamino)propylamino]-1-[5-(3-nitrophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
C25H26N4O5 (462.19031060000003)
4-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
2-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
9-(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-6,7,8a,9-tetrahydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
C25H26N4O5 (462.19031060000003)
3-(5-[(Z)-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-{[2-(ethoxycarbonyl)phenyl]diazenyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
C25H26N4O5 (462.19031060000003)
abacavir 5-glucuronide
A glucosiduronic acid derivative formed by linkage of beta-D-glucosiduronic acid with the 5-oxygen of abacavir. One of the two major metabolites of abacavir in humans (the other is the 5-carboxylic acid, CHEBI:64192).
BI-3406
BI-3406 (compound I-6) is an orally active, highly potent and selective inhibitor of the interaction between KRAS and Son of Sevenless 1 (SOS1) with an IC50 of 6 nM. BI-3406 potently reduces the formation of GTP-loaded KRAS, and inhibits MAPK pathway signaling. BI-3406 has anticancer activity[1][2].
Z-FF-FMK
Z-FF-FMK is a selective cathepsin-L inhibitor. Z-FF-FMK can prevent β-amyloid to induce apoptotic changes such as activation of caspase-3, cleavage of the DNA repair enzyme, poly-ADP ribose polymerase, and DNA fragmentation[1].
7-hydroxy-4,7-bis(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
(1s,4as,6s,7r,7as)-7-hydroxy-4,7-bis(hydroxymethyl)-6-{[(2z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
8-(acetyloxy)-3-[(acetyloxy)methyl]-10-hydroxy-6,10-dimethyl-2-oxo-4h,5h,8h,9h-cyclodeca[b]furan-4-yl 2-methylbut-2-enoate
(3ar,4r,9s,11ar)-9-(acetyloxy)-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2e)-4-(acetyloxy)-2-methylbut-2-enoate
9-(acetyloxy)-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 4-(acetyloxy)-2-methylbut-2-enoate
(2r,3'bs,5'r,5'ar,7'r,9'r,9'ar,9'br)-7'-(acetyloxy)-5',9'-dihydroxy-3'b,9'b-dimethyl-4'-oxo-7',8',9',9'a,10',11'-hexahydro-5'h-spiro[oxirane-2,6'-phenanthro[1,2-b]furan]-5'a-ylmethyl acetate
(2r,3as,4r,6s,6ar,7r,10as)-6-(acetyloxy)-2-(furan-3-yl)-2-hydroxy-3a,4-dimethyl-8-oxo-hexahydrospiro[naphtho[4a,4-b]furan-7,2'-oxiran]-6a-ylmethyl acetate
[(2s,3r,4r)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 4-hydroxybutanoate
(1r,2e,4r,11r,12r)-1-(acetyloxy)-7-[(acetyloxy)methyl]-2,11-dimethyl-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,7-dien-12-yl (2e)-2-methylbut-2-enoate
1-(acetyloxy)-7-[(acetyloxy)methyl]-2,11-dimethyl-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,7-dien-12-yl 2-methylbut-2-enoate
2'-(acetyloxy)-5''-(furan-3-yl)-8'-hydroxy-6'-methyl-2''-oxo-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(2r,2''s,4'ar,5's,5''s,6's,7'r,8'ar)-2''-(acetyloxy)-5''-(furan-3-yl)-7'-hydroxy-6'-methyl-8'-oxo-hexahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(1r,2e,4r,11s,12s)-1-(acetyloxy)-7-[(acetyloxy)methyl]-2,11-dimethyl-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,7-dien-12-yl (2e)-2-methylbut-2-enoate
[(3s,4s)-4-(3,4,5-trimethoxybenzoyl)oxolan-3-yl](3,4,5-trimethoxyphenyl)methanol
(1s)-2-[(1's,2r,2'r,7's,9's,11's,12's)-7'-[(acetyloxy)methyl]-11'-hydroxy-12'-methyl-8'-oxo-10'-oxaspiro[oxirane-2,6'-tricyclo[7.2.1.0²,⁷]dodecan]-1'-yl]-1-(furan-3-yl)ethyl acetate
(2r,2's,5'r,5''s,6'r,8's,8'ar)-2'-(acetyloxy)-5''-(furan-3-yl)-8'-hydroxy-6'-methyl-2''-oxo-hexahydro-2'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
1,1'-dibenzene-6',8',9'-trihydroxy-3-allyl-4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN000395","Ingredient_name": "1,1'-dibenzene-6',8',9'-trihydroxy-3-allyl-4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C24H30O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5378","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-10-hydroxyteucjaponin b
{"Ingredient_id": "HBIN012157","Ingredient_name": "6-acetyl-10-hydroxyteucjaponin b","Alias": "NA","Ingredient_formula": "C24H30O9","Ingredient_Smile": "CC1CC(C2(C3(CCCC2(C14CC(OC4=O)C5=COC=C5)O)CO3)COC(=O)C)OC(=O)C","Ingredient_weight": "462.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "425","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11442594","DrugBank_id": "NA"}
alnuside b
{"Ingredient_id": "HBIN015274","Ingredient_name": "alnuside b","Alias": "NA","Ingredient_formula": "C24H30O9","Ingredient_Smile": "C1C(C(C(C(O1)OC(CCC2=CC(=C(C=C2)O)O)CC(=O)CCC3=CC=C(C=C3)O)O)O)O","Ingredient_weight": "462.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "960","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11684063","DrugBank_id": "NA"}