| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:27 UTC |
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| Update Date | 2025-03-21 18:04:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051530 |
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| Frequency | 63.4 |
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| Structure | |
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| Chemical Formula | C21H22O10 |
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| Molecular Mass | 434.1213 |
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| SMILES | O=C(O)C1OC(Oc2cc(O)cc3c2CCC(c2ccc(O)cc2)O3)C(O)C(O)C1O |
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| InChI Key | WJKOVEQBGIZIEL-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 | flavonoids |
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| Subclass | flavonoid glycosides |
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| Direct Parent | flavonoid o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsflavansglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivatives1-benzopyranflavano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidflavonoid-5-o-glucuronide1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundchromaneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyran7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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