| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:47 UTC |
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| Update Date | 2025-03-21 18:41:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133578 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C21H15O6+ |
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| Molecular Mass | 363.0863 |
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| SMILES | Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2-c2ccc(O)c(O)c2)cc1 |
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| InChI Key | QRGGXVFLWKKESF-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-hydroxyflavonoidsanthocyanidinsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesisoflavonoidsorganic cationsorganooxygen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietybenzopyran1-benzopyranheteroaromatic compound5-hydroxyflavonoid1-hydroxy-2-unsubstituted benzenoidisoflavonoid skeleton1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compound7-hydroxyflavonoidisoflavonoid4'-hydroxyflavonoidanthocyanidinphenolhydrocarbon derivativebenzenoidorganic cationorganoheterocyclic compoundorganooxygen compound |
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