| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:43 UTC |
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| Update Date | 2025-03-21 18:01:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030671 |
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| Frequency | 121.1 |
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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)c(Cl)c1 |
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| InChI Key | GGUNECQLDCNDDY-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3-chlorocatechols3-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | carboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidchlorocatecholcarboxylic acid derivativeorganohalogen compound3-chlorocatecholcatecholorganic oxide3-halobenzoic acidbenzoic acidaryl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenolhalobenzoic acidhalobenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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