| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:25 UTC |
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| Update Date | 2025-03-25 00:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O8S |
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| Molecular Mass | 402.1097 |
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| SMILES | NC(CCCCN(CCC(=O)O)S(=O)(=O)c1ccc(C(=O)O)cc1)C(=O)O |
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| InChI Key | NSEZSAJCZGZLJR-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 acidshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidestricarboxylic acids and derivatives |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesalpha-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 derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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