| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:01 UTC |
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| Update Date | 2025-03-21 18:02:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038608 |
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| Frequency | 90.6 |
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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)c1c(Cl)cccc1Cl |
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| InChI Key | MRUDNSFOFOQZDA-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 compounds2-halobenzoic acidsaryl chloridesbenzoyl derivativesdichlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsvinylogous halides |
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| Substituents | 2-halobenzoic acidcarboxylic acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxide2,6-dichlorobenzoic acid1-carboxy-2-haloaromatic compoundaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzeneorganooxygen compound |
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