| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:30 UTC |
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| Update Date | 2025-03-21 18:04:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049345 |
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| Frequency | 66.9 |
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| Structure | |
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| Chemical Formula | C21H20O10 |
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| Molecular Mass | 432.1056 |
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| SMILES | O=C1c2ccc(O)cc2OCC1c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | DTAPDQRSGUDKOT-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 benzenoidsacetalsalkyl aryl ethersaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonesglucuronic acid derivativeshydrocarbon derivativesisoflavanolsisoflavanonesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneglucuronic acid or derivatives1-benzopyranisoflavanolo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidisoflavanoneketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundchromaneoxaneorganoheterocyclic compoundalcoholisoflavanbenzopyranpyran carboxylic acid or derivativesisoflavonoid-4p-o-glycosideisoflavonoid o-glycosidehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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