| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:10 UTC |
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| Update Date | 2025-03-21 18:06:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064913 |
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| Frequency | 47.3 |
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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)c1c(O)cc(O)cc1S(=O)O |
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| InChI Key | IAJQXHGVYOLVLZ-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 compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundsresorcinolssalicylic acidssulfinic acidsvinylogous acids |
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| Substituents | carboxylic acidsulfinic acid derivativebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidorganosulfur compoundcarboxylic acid derivativesulfinic acidresorcinolorganic oxideo-sulfanylbenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acid1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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