| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:07 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160446 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO5S |
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| Molecular Mass | 217.0045 |
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| SMILES | Nc1cc(C(=O)O)c(O)cc1S(=O)O |
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| InChI Key | HARKNBBYWBUUTL-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 | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsamino acidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundsprimary aminessalicylic acidssulfinic acidsvinylogous acids |
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| Substituents | carboxylic acidamino acid or derivativesamino acidsulfinic acid derivativebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidp-sulfanylbenzoic acidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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