| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:23 UTC |
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| Update Date | 2025-03-25 00:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236466 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO6S2 |
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| Molecular Mass | 333.0341 |
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| SMILES | CSCCC(NS(=O)(=O)c1cccc(C(=O)O)c1)C(=O)O |
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| InChI Key | NBTBYSMQUQFLII-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | methionine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzoic acidbenzenesulfonyl groupbenzenesulfonamidesulfenyl compoundaminosulfonyl compounddialkylthioetherbenzoic acid or derivativesaromatic homomonocyclic compoundthia fatty acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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