| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:58 UTC |
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| Update Date | 2025-03-21 18:04:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050456 |
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| Frequency | 65.1 |
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| Structure | |
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| Chemical Formula | C15H11O6+ |
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| Molecular Mass | 287.055 |
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| SMILES | Oc1ccc(-c2[o+]c3ccc(O)c(O)c3cc2O)cc1O |
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| InChI Key | CIKXKQZSTJTDEB-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-hydroxyflavonoids6-hydroxyflavonoidsanthocyanidinsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganooxygen compoundsoxacyclic compounds |
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| Substituents | 3-hydroxyflavonoidmonocyclic benzene moietybenzopyran1-benzopyran6-hydroxyflavonoidheteroaromatic compound5-hydroxyflavonoid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compound4'-hydroxyflavonoidanthocyanidinphenolhydrocarbon derivativebenzenoidorganic cationorganoheterocyclic compoundorganooxygen compound |
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