| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:00 UTC |
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| Update Date | 2025-03-21 17:57:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010843 |
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| Frequency | 431.3 |
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| Structure | |
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| Chemical Formula | C7H4Cl2O2 |
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| Molecular Mass | 189.9588 |
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| SMILES | O=C(O)c1cc(Cl)cc(Cl)c1 |
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| InChI Key | CXKCZFDUOYMOOP-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 | 3-halobenzoic acidsaryl chloridesbenzoyl derivativescarboxylic acidsdichlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | carboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylcarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxide3-halobenzoic acid3,5-dichlorobenzoic acidaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzeneorganooxygen compound |
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