| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:16 UTC |
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| Update Date | 2025-03-25 00:54:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208768 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO5S |
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| Molecular Mass | 243.0201 |
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| SMILES | CC(=O)c1cc(S(=O)(=O)O)ccc1NC=O |
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| InChI Key | ZOEMJQQFOIXQAQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsacetophenonesanilidesaryl alkyl ketonesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyaryl alkyl ketoneorganosulfonic acidbenzoyln-arylamidebenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundbenzenesulfonyl groupvinylogous amide1-sulfo,2-unsubstituted aromatic compoundcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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