| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:16 UTC |
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| Update Date | 2025-03-25 00:47:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165362 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10ClNO6S |
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| Molecular Mass | 306.9917 |
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| SMILES | CCC(=O)Nc1cc(Cl)c(S(=O)(=O)O)cc1C(=O)O |
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| InChI Key | JEBJHNXERSBHJF-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 | 1-carboxy-2-haloaromatic compounds1-sulfo,2-unsubstituted aromatic compounds3-sulfobenzoic acids4-halobenzoic acidsanilidesaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidorganochloridesulfobenzoic acidorganosulfonic acidbenzoyln-arylamidebenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compound3-sulfobenzoic acid1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidehalobenzoic acidacylaminobenzoic acid or derivatives4-halobenzoic acid1-sulfo,2-unsubstituted aromatic compoundhalobenzoic acid or derivativescarboxamide grouparyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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