| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:47 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198426 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H22O14 |
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| Molecular Mass | 570.101 |
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| SMILES | O=C(O)C1OC(Oc2c(O)cc(O)c3c(=O)c(-c4ccc(O)cc4)c(-c4ccc(O)c(O)c4)oc23)C(O)C(O)C1O |
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| InChI Key | UHBCXEFSZMQJJH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | flavonoids |
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| Subclass | flavonoid glycosides |
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| Direct Parent | flavonoid-8-o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoid-8-o-glycosidesflavonoidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesisoflavonesisoflavonoid o-glycosidesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronideflavonoid-8-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneisoflavonoidoxaneorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidisoflavonoid skeletonvinylogous acid7-hydroxyflavonoidphenolhydrocarbon derivativecarbonyl groupglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeisoflavonoid-8-o-glycosideorganic oxidearomatic heteropolycyclic compoundpyranoneisoflavonepyran carboxylic acid or derivativesisoflavonoid o-glycosidehydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidflavonoid-8-o-glycosideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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