| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:45:06 UTC |
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| Update Date | 2025-03-21 20:02:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00308276 |
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| Frequency | 6.4 |
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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)c1cccc[o+]1 |
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| InChI Key | VMNJNVZIICJVTN-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundheteroaromatic compound2-heteroaryl carboxamideoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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