| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:07 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160435 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O6S |
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| Molecular Mass | 328.0729 |
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| SMILES | Nc1ccc(S(=O)(=O)NC2C(O)C=C(C(=O)O)CC2O)cc1 |
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| InChI Key | ZUBAJJQHZQCLRE-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 | amino acidsaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alcohols |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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