Exact Mass: 450.1613
Exact Mass Matches: 450.1613
Found 322 metabolites which its exact mass value is equals to given mass value 450.1613
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Auriculoside
A flavan glycoside that is (2S)-flavan substituted by a methoxy group at position 4, hydroxy groups at positions 7 and 5 and a beta-D-glucopyranosyloxy group at position 3 respectively.
4-Benzyloxy-2-hydroxy-3,4,5,6-tetramethoxychalcone
Cycloaltilisin
Cycloaltilisin is found in breadfruit. Cycloaltilisin is a constituent of Artocarpus altilis (breadfruit). Constituent of Artocarpus altilis (breadfruit). Cycloaltilisin is found in breadfruit and fruits.
Artonin T
Artonin T is found in fruits. Artonin T is a constituent of the bark of Artocarpus heterophyllus (jackfruit)
Dihydroisocycloartomunin
Dihydroisocycloartomunin is found in breadfruit. Dihydroisocycloartomunin is isolated from the root bark of Artocarpus communis (breadfruit). Isolated from the root bark of Artocarpus communis (breadfruit). Dihydroisocycloartomunin is found in breadfruit and fruits.
Dihydrocycloartomunin
Dihydrocycloartomunin is found in breadfruit. Dihydrocycloartomunin is isolated from the root bark of Artocarpus communis (breadfruit). Isolated from the root bark of Artocarpus communis (breadfruit). Dihydrocycloartomunin is found in breadfruit and fruits.
Cajaisoflavone
Cajaisoflavone is found in pigeon pea. Cajaisoflavone is isolated from root bark of Cajanus cajan (pigeon pea). Isolated from root bark of Cajanus cajan (pigeon pea). Cajaisoflavone is found in pigeon pea and pulses.
Suvorexant
Broussoflavonol A
8-Prenyllisetin
Dihydrocycloartomunin
Dihydroisocycloartomunin
8-desacyl enhydrin-(2,3-epoxyisobutyrate)|8-desacyl enhydrin-<2,3-epoxyisobutyrate>
glochicoccin B|methyl (2S,3aR,4S,4S,5R,6S,7aR)-decahydro-3a,4-dihydroxy-4-[(4-hydroxybenzoyl)oxy]-5-methyl-3-oxo-3H-spiro[1-benzofuran-2,2-pyran]-6-carboxylate
2-methoxy-4,6-dihydroxy-alpha-chalcanol-alpha,beta-epoxide-4-O-beta-D-glucopyranoside|trifochalcanoloside I
3-(4-Methoxyphenyl)-5-hydroxy-6-prenyl-8,8-dimethyl-9,10-epidioxy-9,10-dihydro-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
(2-Hydroxymethyl-phenyl)-(O6-veratroyl-beta-D-glucopyranosid)|(2-hydroxymethyl-phenyl)-(O6-veratroyl-beta-D-glucopyranoside)|2-(O6-Veratroyl-beta-D-glucopyranosyloxy)-benzylalkohol|Glycosmin
3-oxo-10alphaH-stilpnotomentolide-8-O-(5-hydroxysenecioate)|3-oxo-10alphaH-stilpnotomentolide-8-O-<5-hydroxysenecioate>
2,2-Dimethyl-5-hydroxy-7-(4-methoxyphenyl)-10-prenyl-3,4-epidioxy-3,4-dihydro-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one
4a,5,6,8a-tetrahydro-5,7,4-trihydroxy-3-methoxy-5,5,8a-trimethyl-4H-chromeno[2,3:3,2]flavone|ugonin I
benzyl 2-beta-O-D-glucopyranosyl-3,6-dimethoxybenzoate
2-(4-hydroxyphenyl)ethyl 2-O-(3,4-dihydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside E
rumexneposide B|torachrysone-8-O-b-D-(60-O-acetyl)glucopyranoside
2-(2,5-Dihydroxy-4-methoxyphenyl)-3-(3-methyl-2-butenyl)-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
2,4-dihydroxy-4?-methoxy-6?-O-beta-glucopyranoside dihydrochalcone
1-(4-hydroxy-2,5-dimethylphenyl)-6-vanilloyl-beta-D-glucopyranose|dunnianoside B
(1R,3S,3aR,8bS)-1,2,3,3a-tetrahydro-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-8bH-cyclopenta[b]benzofuran-1,8b-diol
8-desacyl enhydrin-(4-hydroxymethacrylate)|8-desacyl enhydrin-<4-hydroxymethacrylate>
2-(3,4-dihydroxyphenyl)ethyl 2-O-(4-hydroxyphenylethanoyl)-beta-D-glucopyranoside|ternstroside B
Ser Asp Thr Glu
3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
C22H26O10_[(1S)-1-(beta-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
C22H26O10_1-Propanone, 1-[2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-methoxyphenyl)
C23H22N4O6_1H-Imidazo[1,2-a]indole-9-propanoic acid, 2,3,9,9a-tetrahydro-1,9-dihydroxy-2,2-dimethyl-3-oxo-alpha-(4-oxo-3(4H)-quinazolinyl)
[(1S)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one_major
Cys Met Pro Thr
Cys Met Thr Pro
Cys Asn Asn Thr
Cys Asn Gln Ser
Cys Asn Ser Gln
Cys Asn Thr Asn
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Cys Gln Ser Asn
Cys Ser Asn Gln
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Cys Thr Pro Met
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Asp Thr Ser Glu
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Glu Asp Ser Thr
Glu Asp Thr Ser
Glu Glu Ser Ser
Glu Ser Asp Thr
Glu Ser Glu Ser
Glu Ser Ser Glu
Glu Ser Thr Asp
Glu Thr Asp Ser
Glu Thr Ser Asp
Met Cys Pro Thr
Met Cys Thr Pro
Met Pro Cys Thr
Met Pro Thr Cys
Met Thr Cys Pro
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Asn Cys Asn Thr
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Asn Cys Ser Gln
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Asn Gln Ser Cys
Asn Ser Cys Gln
Asn Ser Gln Cys
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Asn Thr Asn Cys
Pro Cys Met Thr
Pro Cys Thr Met
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Gln Cys Asn Ser
Gln Cys Ser Asn
Gln Asn Cys Ser
Gln Asn Ser Cys
Gln Ser Cys Asn
Gln Ser Asn Cys
Ser Cys Asn Gln
Ser Cys Gln Asn
Ser Asp Glu Thr
Ser Glu Asp Thr
Ser Glu Glu Ser
Ser Glu Ser Glu
Ser Glu Thr Asp
Ser Asn Cys Gln
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Ser Ser Glu Glu
Ser Thr Asp Glu
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Thr Cys Pro Met
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Thr Asp Ser Glu
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Thr Met Cys Pro
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Thr Asn Cys Asn
Thr Asn Asn Cys
Thr Pro Cys Met
Thr Pro Met Cys
Thr Ser Asp Glu
Thr Ser Glu Asp
Thr Thr Asp Asp
((1S)-5-hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl)methyl benzoate
dimethyl benzene-1,3-dicarboxylate,2,3-dimethylterephthalic acid,ethane-1,2-diol
Suvorexant
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C142786 - Orexin Receptor Antagonist D018377 - Neurotransmitter Agents > D000068796 - Orexin Receptor Antagonists N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives
2H-Quinolizine-3-carboxamide,N-{(2,4-difluorophenyl)methyl)-6,7,8,9-tetrahydro-1-hydroxy-7-methoxy-8-(2-methoxyethyl)-8-methyl-2,9-dioxo,(7r,8r)-Mix
(R)-(4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
Nemorexant
C78272 - Agent Affecting Nervous System > C142786 - Orexin Receptor Antagonist
(4-(5-chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
Ternstroside B
A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(4-hydroxyphenyl)acetyl]oxy residue at position 2. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.
Ternstroside E
A beta-D-glucoside with 2-(4-hydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.
CGS-12066A maleate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
(5r,6s,8s)-8-[3-(Aminomethyl)phenyl]-6-Hydroxy-5-Isopropyl-3-Oxo-1-Phenyl-2,7-Dioxa-4-Aza-6-Phosphanonan-9-Oic Acid 6-Oxide
1-[2-(beta-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-methoxyphenyl)-1-propanone
Asebotoside
3-(3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid
4-[[(3,4-Dimethoxyphenyl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid
2-[(2S,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2R,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2R,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2S,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide
2-fluoro-N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide
2-fluoro-N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide
2-[(2S,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
2-fluoro-N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide
2-[(2R,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide
2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide
3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
2-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
2-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
2-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
2-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2S,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2R,5S,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2R,5R,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1S)-1-phenylethyl]acetamide
2-[(2S,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
2-[(2S,5R,6R)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
2-fluoro-N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide
2-fluoro-N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide
2-fluoro-N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide
2-fluoro-N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzamide
3-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
2-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
2-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
2-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
2-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
2-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzamide
[(2r,3s,4s,5r,6r)-6-[(2s,3s)-2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
[(1s,4ar,5s,7as)-5-hydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl benzoate
benzyl 3,6-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
2-(4-hydroxy-3,5-dimethoxyphenyl)-11-methoxy-2h,3h,4h,5h,6h-phenanthro[2,1-b]pyran-3,8-diol
methyl 2-methoxy-4-[3-(3-methoxy-3-oxopropanoyl)-2,4-diphenylcyclobutyl]-4-oxobut-2-enoate
2-[(8ar,10as)-4-hydroxy-8,8,10a-trimethyl-8a,9-dihydro-7h-xanthen-1-yl]-5,7-dihydroxy-3-methoxychromen-4-one
4-hydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
4,9-dihydroxy-2-methoxy-6-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-anthracen-1-one
1-(2-hydroxy-4-methoxy-6-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(4-hydroxyphenyl)propan-1-one
2-hydroxy-6-[2-(4-methoxyphenyl)ethyl]-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
1-(beta-carbolin-1-yl)-3-(4,8-dimethoxy-beta-carbolin-1-yl)propan-1-one
{"Ingredient_id": "HBIN002384","Ingredient_name": "1-(beta-carbolin-1-yl)-3-(4,8-dimethoxy-beta-carbolin-1-yl)propan-1-one","Alias": "1-(\u03b2-carbolin-1-yl)-3-(4,8-dimethoxy-\u03b2-carbolin-1-yl)propan-1-one","Ingredient_formula": "C27H22N4O3","Ingredient_Smile": "COC1=CC=CC2=C1NC3=C2C(=CN=C3CCC(=O)C4=NC=CC5=C4NC6=CC=CC=C56)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30737;3161","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,2',3,3',4,4'-Tetramethoxy-6,6'-biphenyldicarboxylic acid, dimethyl ester
{"Ingredient_id": "HBIN003634","Ingredient_name": "2,2',3,3',4,4'-Tetramethoxy-6,6'-biphenyldicarboxylic acid, dimethyl ester","Alias": "2-(6-carbomethoxy-2,3,4-trimethoxy-phenyl)-3,4,5-trimethoxy-benzoic acid methyl ester; AIDS-070883; AIDS070883; 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonylphenyl)benzoic acid methyl ester; methyl 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonyl-phenyl)benzoate; methyl 3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-methoxycarbonylphenyl)benzoate","Ingredient_formula": "C22H26O10","Ingredient_Smile": "COC1=C(C(=C(C(=C1)C(=O)OC)C2=C(C(=C(C=C2C(=O)OC)OC)OC)OC)OC)OC","Ingredient_weight": "450.4 g/mol","OB_score": "22.90498438","CAS_id": "NA","SymMap_id": "SMIT10278","TCMID_id": "NA","TCMSP_id": "MOL009100","TCM_ID_id": "NA","PubChem_id": "471114","DrugBank_id": "NA"}
benzyl 2β-o-d-glucopyranosyl-3,6-dimethoxy-benzoate
{"Ingredient_id": "HBIN017836","Ingredient_name": "benzyl 2\u03b2-o-d-glucopyranosyl-3,6-dimethoxy-benzoate","Alias": "NA","Ingredient_formula": "C22H26O10","Ingredient_Smile": "COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC(=CC=C2)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2289","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}