| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:55 UTC |
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| Update Date | 2025-03-21 17:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021868 |
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| Frequency | 182.1 |
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| Structure | |
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| Chemical Formula | C7H4Cl2O3 |
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| Molecular Mass | 205.9537 |
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| SMILES | O=C(O)c1cc(Cl)cc(Cl)c1O |
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| InChI Key | CNJGWCQEGROXEE-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 | dichlorobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsaryl chloridesbenzoyl derivativesdichlorobenzeneshalobenzoic acidshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsp-chlorophenolssalicylic acidsvinylogous acids |
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| Substituents | carboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylsalicylic acidcarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxide3-halobenzoic acid4-halophenol3,5-dichlorobenzoic acid1-carboxy-2-haloaromatic compoundaryl chloride2-chlorophenolchlorobenzenehalobenzoic acid4-chlorophenolhalobenzoic acid or derivativesaryl halidehydroxybenzoic acidaromatic homomonocyclic compound2-halophenolvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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