| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:43 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O6S |
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| Molecular Mass | 312.0416 |
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| SMILES | O=C1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2)C(=O)N1 |
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| InChI Key | HUNOBDZAWWTUFQ-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 | alpha amino acidsaminosulfonyl compoundsazacyclic compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdelta lactamsdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespiperidinediones |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidecarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinedionepiperidinonedicarboximidebenzoic acidpiperidineorganoheterocyclic compoundbenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundbenzoic acid or derivativescarboxylic acid imidedelta-lactammonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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