| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:30 UTC |
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| Update Date | 2025-03-25 00:54:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206955 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H21O12+ |
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| Molecular Mass | 477.1028 |
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| SMILES | O=C(O)C1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)C(O)C1O |
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| InChI Key | IUBGAQRWNKHYJZ-UHFFFAOYSA-O |
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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 | hydroxyflavonoids |
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| Direct Parent | 5-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids7-hydroxyflavonoidsacetalsanthocyanidinsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesoxacyclic compoundsoxepanessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundanthocyanidinorganic cationorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxepaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compound7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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