| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:51 UTC |
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| Update Date | 2025-03-25 00:48:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166730 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO6S |
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| Molecular Mass | 287.0464 |
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| SMILES | CC(=O)NCCS(=O)(=O)Oc1ccc(C(=O)O)cc1 |
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| InChI Key | ZQDCFLDQNJIFCS-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 acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundssecondary carboxylic acid amidessulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativesulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidacetamidecarboxamide grouporganosulfonic acid esteraromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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