| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:05 UTC |
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| Update Date | 2025-03-21 18:34:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100704 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C7H5ClO4 |
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| Molecular Mass | 187.9876 |
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| SMILES | O=C(O)c1cc(O)c(O)cc1Cl |
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| InChI Key | DFHXVNSKHYFZTB-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-2-unsubstituted benzenoids2-halobenzoic acids4-chlorocatecholsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsp-chlorophenolsvinylogous halides |
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| Substituents | 4-chlorocatechol2-halobenzoic acidcarboxylic acidorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidchlorocatecholcarboxylic acid derivativeorganohalogen compoundcatecholorganic oxide4-halophenol1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzene3-halophenol3-chlorophenolhalobenzoic acid4-chlorophenolhalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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