| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:06 UTC |
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| Update Date | 2025-03-21 18:05:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057680 |
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| Frequency | 55.0 |
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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(Cl)cc(O)c1O |
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| InChI Key | VRYWIHPBUFYZGM-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 | salicylic acids |
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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 benzenoids3-halobenzoic acids4-chlorocatecholsaryl chloridesbenzoic acidsbenzoyl derivativeschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsp-chlorophenolsvinylogous acids |
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| Substituents | 4-chlorocatecholcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidchlorocatecholcarboxylic acid derivativeorganohalogen compoundcatecholorganic oxide3-halobenzoic acid4-halophenol1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzene3-halophenol3-chlorophenolhalobenzoic acid4-chlorophenolhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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