| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:47 UTC |
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| Update Date | 2025-03-21 18:30:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080901 |
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| Frequency | 35.9 |
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| Structure | |
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| Chemical Formula | C22H22O10 |
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| Molecular Mass | 446.1213 |
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| SMILES | COc1ccc(C2COc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3C2=O)cc1 |
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| InChI Key | ZSVVIZNBCUBFMV-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 | 4'-o-methylated isoflavonoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonesglucuronic acid derivativeshydrocarbon derivativesisoflavanolsisoflavanonesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidaryl alkyl ketone1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneoxaneorganoheterocyclic compound4p-methoxyisoflavonoidalcoholisoflavanbenzopyranmethoxybenzeneanisolehydrocarbon derivativephenoxy compoundaryl ketonecarbonyl groupetherglucuronic acid or derivativesisoflavanolisoflavonoid-7-o-glycosidealkyl aryl ethercarboxylic acid derivativeisoflavanoneorganic oxidearomatic heteropolycyclic compoundchromanepyran carboxylic acid or derivativesisoflavonoid o-glycosidehydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholbenzenoidorganooxygen compound |
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