| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:28 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200030 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H4ClNO4 |
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| Molecular Mass | 212.9829 |
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| SMILES | N#Cc1cc(C(=O)O)c(Cl)c(O)c1O |
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| InChI Key | AFIQCNUHYDMVTP-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoids2-halobenzoic acids3-chlorocatecholsaryl chloridesbenzoic acidsbenzonitrilesbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesnitrileso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous halides |
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| Substituents | 2-halobenzoic acidnitrilecarboxylic acidorganochloridebenzoylchlorocatecholcarboxylic acid derivativeorganohalogen compound3-chlorocatecholcatecholorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidcarbonitrilearyl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenolhalobenzoic acidhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidvinylogous halide2-halobenzoic acid or derivativesbenzonitrilearyl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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