| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:31 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206997 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H22O13 |
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| Molecular Mass | 554.106 |
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| SMILES | O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(Oc2ccc(O)cc2)C(O)C1O |
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| InChI Key | ZMDMKDWSWVOHTJ-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-3-o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids4-alkoxyphenols5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoid-3-o-glycosidesflavonoidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acid1-benzopyrano-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneflavonoid-3-o-glucuronideflavonoid-3-o-glycosideoxaneorganoheterocyclic compound1,2-diolalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidvinylogous acid7-hydroxyflavonoidphenolhydrocarbon derivativephenoxy compoundcarbonyl groupetherglucuronic acid or derivatives1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundpyranone4-alkoxyphenolpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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