| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:16 UTC |
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| Update Date | 2025-03-25 00:57:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222815 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClNO4 |
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| Molecular Mass | 214.9985 |
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| SMILES | O=CNc1cc(O)c(Cl)cc1C(=O)O |
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| InChI Key | HPNCMTIALOEWRB-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-hydroxy-2-unsubstituted benzenoids3-halobenzoic acidsanilidesaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesn-arylamideso-chlorophenolsorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloride2-chlorophenolchlorobenzenevinylogous amidehalobenzoic acidacylaminobenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide grouparyl halidehydroxybenzoic acidaromatic homomonocyclic compoundanilide2-halophenolsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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