| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:05 UTC |
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| Update Date | 2025-03-21 18:07:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069557 |
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| Frequency | 43.4 |
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| Structure | |
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| Chemical Formula | C7H6O5S |
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| Molecular Mass | 201.9936 |
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| SMILES | O=C(O)c1cc(S(=O)O)ccc1O |
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| InChI Key | CFYDCJCXEBLVGT-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 compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundssalicylic acidssulfinic acidsvinylogous acids |
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| Substituents | carboxylic acidsulfinic acid derivativebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidm-sulfanylbenzoic acidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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