Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:49:44 UTC |
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Update Date | 2025-03-21 18:02:25 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00037944 |
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Frequency | 92.5 |
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Structure | |
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Chemical Formula | C21H20O12 |
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Molecular Mass | 464.0955 |
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SMILES | O=C1CC(c2ccc(O)cc2)Oc2cc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c21 |
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InChI Key | MHHHWCWZYLBUNF-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidschromonesflavanonesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholsvinylogous acids |
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Substituents | phenol ethermonocyclic benzene moietycarboxylic acidaryl alkyl ketone1-benzopyranflavanoneo-glucuronidemonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneoxaneorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidvinylogous acid7-hydroxyflavonoidphenolhydrocarbon derivativearyl ketonecarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromanepyran carboxylic acid or derivativeshydroxy acidflavonoid-6-o-glucuronide1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcohol4'-hydroxyflavonoidbenzenoidorganooxygen compound |
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