| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:32 UTC |
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| Update Date | 2025-03-21 17:58:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014396 |
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| Frequency | 306.4 |
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| Structure | |
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| Chemical Formula | C22H22O11 |
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| Molecular Mass | 462.1162 |
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| SMILES | COC(=O)C1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)C(O)C(O)C1O |
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| InChI Key | VXDMNDDYZSDEEQ-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativeschromonesflavanonesflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyaryl alkyl ketone1-benzopyranflavanoneo-glucuronidemonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharidemethyl esteracetalchromoneoxaneorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidvinylogous acidcarboxylic acid esterphenolhydrocarbon derivativearyl ketonecarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromaneflavonoid-7-o-glycosidepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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