| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:01 UTC |
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| Update Date | 2025-03-25 00:46:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10O5S |
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| Molecular Mass | 278.0249 |
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| SMILES | O=C(O)c1ccc(S(=O)(=O)c2cccc(O)c2)cc1 |
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| InChI Key | PJZPGVFXNDQUHO-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 | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfones |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundphenolhydrocarbon derivativebenzoic acidorganooxygen compoundsulfonebenzenesulfonyl group |
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