| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:55 UTC |
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| Update Date | 2025-03-21 18:38:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119787 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C7H7NO4S |
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| Molecular Mass | 201.0096 |
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| SMILES | Nc1ccc(S(=O)O)cc1C(=O)O |
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| InChI Key | KULGTBXIQIOSGM-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 | m-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 acidsvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesamino acidsulfinic acid derivativebenzoylorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidm-sulfanylbenzoic acidvinylogous amidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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