| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:09 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162784 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO6S |
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| Molecular Mass | 261.0307 |
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| SMILES | O=C(NCCS(=O)(=O)O)c1cc(O)cc(O)c1 |
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| InChI Key | GCCPCSHXISWYDP-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 | benzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidsresorcinolssecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativebenzamideresorcinolorganic oxideorganonitrogen compoundorganopnictogen compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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