| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:11 UTC |
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| Update Date | 2025-03-21 17:57:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011258 |
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| Frequency | 411.8 |
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| Structure | |
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| Chemical Formula | C15H11O5+ |
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| Molecular Mass | 271.0601 |
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| SMILES | Oc1ccc(-c2[o+]c3c(O)cc(O)cc3cc2O)cc1 |
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| InChI Key | PWRSQLZYLHYVDC-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 | 8-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'-hydroxyflavonoids6-hydroxyflavonoidsanthocyanidinsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganooxygen compoundsoxacyclic compounds |
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| Substituents | 8-hydroxyflavonoid3-hydroxyflavonoidmonocyclic benzene moietybenzopyran1-benzopyran6-hydroxyflavonoidheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compound4'-hydroxyflavonoidanthocyanidinphenolhydrocarbon derivativebenzenoidorganic cationorganoheterocyclic compoundorganooxygen compound |
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