| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:33 UTC |
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| Update Date | 2025-03-21 18:40:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130772 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C4H5Cl3O4 |
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| Molecular Mass | 221.9253 |
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| SMILES | O=C(O)C(O)C(O)C(Cl)(Cl)Cl |
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| InChI Key | GVGWZMMTXFIWFM-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 | 1,2-diolsalkyl chloridesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidchlorohydrinalkyl chlorideorganochloridealpha-hydroxy acidmonosaccharidecarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidsaccharideorganic oxidealkyl halidehydroxy fatty acid1,2-diolhalogenated fatty acidalcoholhalohydrinhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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