| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:02:29 UTC |
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| Update Date | 2025-03-24 21:27:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01783025 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H6NO3+ |
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| Molecular Mass | 140.0342 |
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| SMILES | Nc1cc[o+]cc1C(=O)O |
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| InChI Key | PXDUFCFBTJZHAM-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 acids |
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| Direct Parent | 1-carboxy-2-haloaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidearomatic heteromonocyclic compoundamino acid or derivativesamino acidheteroaromatic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganic cationamineorganoheterocyclic compoundorganooxygen compound |
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