| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:51 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187314 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N2O5S |
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| Molecular Mass | 308.0467 |
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| SMILES | CC(=O)c1ccc(C(=O)O)n1-c1ccc(S(N)(=O)=O)cc1 |
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| InChI Key | BAKOFYYXCQVKFP-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaryl alkyl ketonesazacyclic compoundsbenzenesulfonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessubstituted pyrroles |
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| Substituents | organosulfonic acid or derivativescarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundsubstituted pyrroleorganosulfur compoundcarboxylic acid derivativeketoneorganosulfonic acid amideorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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