| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:47 UTC |
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| Update Date | 2025-03-25 00:52:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193849 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15NO6S |
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| Molecular Mass | 349.062 |
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| SMILES | CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 |
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| InChI Key | WFLBHUBLAZFUTA-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidessulfanilides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidbenzoylbenzoate esterorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfanilidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativescarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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