| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:57 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185181 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12NO2+ |
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| Molecular Mass | 250.0863 |
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| SMILES | NC(=O)c1cc(-c2ccccc2)[o+]c2ccccc12 |
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| InChI Key | QKBWBRZTJFOWSO-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 | anthocyanidins |
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| Direct Parent | anthocyanidins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransbenzene and substituted derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietybenzopyran1-benzopyranheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundanthocyanidinhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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