| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:27 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O5S |
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| Molecular Mass | 216.0092 |
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| SMILES | Cc1cc(C(=O)O)cc(S(=O)(=O)O)c1 |
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| InChI Key | RBSVUWPNDWKRLX-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 | 3-sulfobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidssulfonylstoluenes |
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| Substituents | organosulfonic acid or derivativescarboxylic acidorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxide3-sulfobenzoic acidbenzoic acidbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundbenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativetolueneorganooxygen compound |
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