| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:01 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H11O7+ |
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| Molecular Mass | 315.0499 |
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| SMILES | O=C(O)c1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1 |
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| InChI Key | CHMSAOIYINMFGY-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 | 3-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 benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoidsanthocyanidinsbenzene and substituted derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | 3-hydroxyflavonoidmonocyclic benzene moietycarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundanthocyanidinorganic cationorganoheterocyclic compoundbenzopyranheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidhydroxybenzoic acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compound4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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