| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:17 UTC |
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| Update Date | 2025-03-25 00:45:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149432 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O4S |
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| Molecular Mass | 216.0205 |
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| SMILES | Nc1ccc(C(=O)O)c(S(=O)O)c1N |
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| InChI Key | RYXRSJOFUQPXNI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | o-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundsprimary aminessulfinic acids |
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| Substituents | carboxylic acidamino acid or derivativesamino acidsulfinic acid derivativebenzoylorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxideo-sulfanylbenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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