| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:28 UTC |
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| Update Date | 2025-03-25 00:55:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O6S |
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| Molecular Mass | 358.1199 |
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| SMILES | CCCCN(CCC(N)C(=O)O)S(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | CHKIDLFNQIAQAB-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidbenzoylalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativesaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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