| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:53 UTC |
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| Update Date | 2025-03-25 00:56:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O9 |
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| Molecular Mass | 416.1107 |
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| SMILES | O=c1c(-c2ccc(O)cc2)coc2cc(OC3C(O)OC(CO)C(O)C3O)ccc12 |
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| InChI Key | QFKVCLMXAKBHMX-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 | isoflav-2-enes |
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| Direct Parent | isoflavones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzene and substituted derivativeschromoneshemiacetalsheteroaromatic compoundshydrocarbon derivativesisoflavonoidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersprimary alcoholspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethersaccharideorganic oxidechromonearomatic heteropolycyclic compoundpyranonehemiacetaloxaneprimary alcoholorganoheterocyclic compoundisoflavonealcoholbenzopyranheteroaromatic compoundoxacycleorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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