| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:36 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154928 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18N2O3S |
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| Molecular Mass | 354.1038 |
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| SMILES | Cc1ccc(-c2ccc(C(N)=O)n2-c2ccc(S(C)(=O)=O)cc2)cc1 |
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| InChI Key | GIJZZRMFBKMZPW-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrole carboxamidessubstituted pyrrolessulfonestoluenes |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundsubstituted pyrroleorganosulfur compoundcarboxylic acid derivative2-heteroaryl carboxamideorganic oxidepyrrole-2-carboxylic acid or derivativesorganonitrogen compoundorganopnictogen compoundpyrrole-2-carboxamideorganoheterocyclic compoundbenzenesulfonyl groupazacycleheteroaromatic compoundcarboxamide groupsulfonylorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compoundsulfone |
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