| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:41 UTC |
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| Update Date | 2025-03-25 00:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237150 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H2Cl2O3 |
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| Molecular Mass | 167.9381 |
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| SMILES | O=C(O)C(=O)C=C(Cl)Cl |
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| InChI Key | OPNSHNZRIQKJGZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | halogenated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidschloroalkenesenonesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesshort-chain keto acids and derivativesvinyl chloridesvinylogous halides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganochlorideshort-chain keto acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxidealpha-keto acidenonehalogenated fatty acidchloroalkenevinylogous halidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidvinyl halidehaloalkenehydrocarbon derivativeacryloyl-groupvinyl chlorideorganooxygen compound |
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