| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:33 UTC |
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| Update Date | 2025-03-21 18:29:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075434 |
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| Frequency | 39.2 |
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| Structure | |
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| Chemical Formula | C7H6O6S |
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| Molecular Mass | 217.9885 |
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| SMILES | O=C(O)c1ccc(S(=O)(=O)O)cc1O |
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| InChI Key | RHLPAVIBWYPLRV-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | 4-sulfobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidssalicylic acidssulfonylssulfosalicylic acids and derivativesvinylogous acids |
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| Substituents | organosulfonic acid or derivativescarboxylic acidorganosulfonic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidsulfosalicylic acid or derivativesbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoid4-sulfobenzoic acidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativessalicylic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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