| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:39 UTC |
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| Update Date | 2025-03-21 18:33:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094734 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C21H22O11 |
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| Molecular Mass | 450.1162 |
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| SMILES | O=C(O)C1CC(O)C(O)C(Oc2cc(O)c3c(c2)OC(c2ccc(O)c(O)c2)C(O)C3)O1 |
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| InChI Key | XXUDRSZGJQTQOP-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-7-o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersbenzene and substituted derivativescarbonyl compoundscarboxylic acidscatechinsflavonoid-7-o-glycosideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarbonyl groupethercarboxylic acid1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidorganic oxideacetalaromatic heteropolycyclic compoundchromanecatechinoxaneflavan-3-olorganoheterocyclic compoundflavonoid-7-o-glycosidealcoholbenzopyranpyran carboxylic acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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