| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:34 UTC |
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| Update Date | 2025-03-21 18:29:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077948 |
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| Frequency | 37.6 |
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| Structure | |
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| Chemical Formula | C21H18O12 |
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| Molecular Mass | 462.0798 |
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| SMILES | O=C(O)C1OC(Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2O)C(O)C(O)C1O |
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| InChI Key | HHLBNMFXNOCERW-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 | isoflavonoids |
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| Subclass | isoflavonoid o-glycosides |
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| Direct Parent | isoflavonoid o-glycosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesisoflavonesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivatives1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundisoflavonealcoholbenzopyranpyran carboxylic acid or derivativesisoflavonoid-4p-o-glycosideheteroaromatic compoundisoflavonoid o-glycosidehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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