| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:50 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166665 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO5S |
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| Molecular Mass | 273.0671 |
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| SMILES | CC(=O)NCCC(O)c1ccc(S(=O)(=O)O)cc1 |
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| InChI Key | HGSTYCBJSJLETM-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsacetamidesaromatic alcoholsarylsulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary alcoholssecondary carboxylic acid amidessulfonyls |
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| Substituents | aromatic alcoholorganosulfonic acid or derivativescarbonyl grouporganosulfonic acidbenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidebenzenesulfonyl groupalcohol1-sulfo,2-unsubstituted aromatic compoundcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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