| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:44:22 UTC |
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| Update Date | 2025-03-24 21:45:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01882683 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C4H5ClO3 |
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| Molecular Mass | 135.9927 |
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| SMILES | O=C(O)C(O)C=CCl |
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| InChI Key | DZRIVKTYNSMQFE-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidschloroalkenesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcoholsshort-chain hydroxy acids and derivativesvinyl chlorides |
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| Substituents | halogenated fatty acidalcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidchloroalkeneorganochloridealpha-hydroxy acidhydroxy acidcarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenesecondary alcoholhydrocarbon derivativehydroxy fatty acidvinyl chlorideorganooxygen compound |
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