| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:52 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H15O6+ |
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| Molecular Mass | 327.0863 |
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| SMILES | O=C(O)CC(O)c1cc(-c2ccc(O)cc2)[o+]c2cc(O)ccc12 |
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| InChI Key | IFUPXCZKPMEYKJ-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 | 7-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoidsanthocyanidinsaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundanthocyanidinorganic cationorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compound7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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