| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:41 UTC |
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| Update Date | 2025-03-25 01:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253202 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H16O9 |
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| Molecular Mass | 400.0794 |
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| SMILES | O=C(O)C1OC(Oc2ccc3occ(-c4ccc(O)cc4)c(=O)c3c2)C(O)C1O |
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| InChI Key | JPJUMVCQUXXIJZ-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesheteroaromatic compoundshydrocarbon derivativesisoflavonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenol etherspyranones and derivativessecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compound1,2-diolisoflavonealcoholbenzopyrantetrahydrofuranheteroaromatic compoundisoflavonoid o-glycosidehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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