| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:03 UTC |
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| Update Date | 2025-03-25 00:57:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5Cl3O4 |
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| Molecular Mass | 233.9253 |
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| SMILES | O=C(O)C(O)CC(=O)C(Cl)(Cl)Cl |
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| InChI Key | CMFGFLOALCUPPU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridesalpha hydroxy acids and derivativesalpha-chloroketonesbeta-hydroxy ketonescarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcoholsshort-chain keto acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochloridealpha-hydroxy acidshort-chain keto acidcarboxylic acid derivativeorganohalogen compoundketoneorganic oxidealpha-haloketonealkyl halidehydroxy fatty acidalcoholhalogenated fatty acidhydroxy acidalpha-chloroketonegamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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