| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:29 UTC |
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| Update Date | 2025-03-21 18:03:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044524 |
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| Frequency | 75.9 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | O=C(CO)Nc1ccccc1S(=O)(=O)O |
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| InChI Key | JYGVHQYMMVCZDI-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 compoundsalcohols and polyolsanilidesarylsulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl grouporganosulfonic acidn-arylamidebenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupalcohol1-sulfo,2-unsubstituted aromatic compoundcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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