| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:17:01 UTC |
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| Update Date | 2025-03-21 19:09:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00243764 |
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| Frequency | 8.7 |
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| Structure | |
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| Chemical Formula | C6H6NO2+ |
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| Molecular Mass | 124.0393 |
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| SMILES | NC(=O)c1ccc[o+]c1 |
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| InChI Key | IKFQUWOHUQIDTA-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 heteromonocyclic compounds |
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| Alternative Parents | carboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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