| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:05 UTC |
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| Update Date | 2025-03-21 18:35:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108105 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C9H10N2O5S |
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| Molecular Mass | 258.031 |
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| SMILES | CC(=O)Nc1ccc(C(=O)O)cc1S(N)(=O)=O |
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| InChI Key | BJACVMUTHYVRCO-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidn-acetylarylaminebenzoyln-arylamideorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidacetamidebenzenesulfonyl groupacylaminobenzoic acid or derivativesbenzenesulfonamideaminosulfonyl compoundacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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