| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:17 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4S2 |
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| Molecular Mass | 246.9973 |
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| SMILES | CSc1ccc(S(N)(=O)=O)cc1C(=O)O |
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| InChI Key | XWQLJJMBUYNNDS-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 compoundsalkylarylthioethersaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganooxygen compoundsorganosulfonamidessulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | organosulfonic acid or derivativescarboxylic acidbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganosulfonic acid amideorganic oxidethiophenolo-sulfanylbenzoic acidthiophenol ether1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl groupvinylogous thioesterbenzenesulfonamidesulfenyl compoundaminosulfonyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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