| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:02 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153555 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H25NO13 |
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| Molecular Mass | 535.1326 |
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| SMILES | COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)c(NC(C)=O)cc3C(=O)C2O)cc1O |
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| InChI Key | LYLGSDJHKKGTAT-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 benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-o-methylated flavonoidsacetalsacetamidesalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonesflavanonolsflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylamineso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidcarboxylic acidaryl alkyl ketonen-acetylarylamine1-benzopyranflavanoneo-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneorganonitrogen compoundoxaneorganoheterocyclic compoundacetamidealcoholbenzopyranflavanonolmethoxybenzenesecondary carboxylic acid amideanisole4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativephenoxy compoundaryl ketonecarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidn-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganopnictogen compoundchromaneflavonoid-7-o-glycosidepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide group3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcoholbenzenoidorganic nitrogen compoundorganooxygen compound |
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