| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:30:18 UTC |
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| Update Date | 2025-03-24 22:06:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01991359 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H6NO2+ |
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| Molecular Mass | 136.0393 |
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| SMILES | O=C1Cc2cc[o+]cc2N1 |
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| InChI Key | XDKIEQUAGPMUEW-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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