| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:50 UTC |
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| Update Date | 2025-03-21 18:34:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102584 |
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| Frequency | 26.5 |
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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)c1ccc(O)c(O)c1Cl |
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| InChI Key | IEKVQMDBVWMVMB-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 benzenoids1-hydroxy-4-unsubstituted benzenoids2-halobenzoic acids3-chlorocatecholsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsvinylogous halides |
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| Substituents | 2-halobenzoic acidcarboxylic acidorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidchlorocatecholcarboxylic acid derivativeorganohalogen compound3-chlorocatecholcatecholorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenolhalobenzoic acidhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidvinylogous halide2-halobenzoic acid or derivativesaryl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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