| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:18 UTC |
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| Update Date | 2025-03-25 00:57:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225112 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O8S |
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| Molecular Mass | 364.094 |
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| SMILES | Nc1ccc(S(=O)(=O)N(CC(O)C(=O)O)CC(O)C(O)CO)cc1 |
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| InChI Key | SMJHJHLKSQQEIU-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 hydroxy acids and derivativesamino acidsaminosulfonyl compoundsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary alcoholsprimary aminessecondary alcohols |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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