| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:34 UTC |
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| Update Date | 2025-03-25 00:55:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214228 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO4S |
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| Molecular Mass | 229.0409 |
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| SMILES | CN(C)C(=O)c1ccccc1S(=O)(=O)O |
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| InChI Key | MJXXOVBTEMLYSF-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 compoundsarylsulfonic acids and derivativesbenzamidesbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssulfonylstertiary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acidbenzoylbenzenesulfonateorganosulfur compoundcarboxylic acid derivativebenzamideorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundbenzoic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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