| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:52 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203215 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H4Cl6O4 |
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| Molecular Mass | 349.8241 |
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| SMILES | O=C(O)CC(OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
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| InChI Key | KYJNYEWSYPPZFM-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 | alkyl chloridesalpha-halocarboxylic acid derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesshort-chain hydroxy acids and derivatives |
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| Substituents | halogenated fatty acidalpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundalpha-halocarboxylic acid derivativeorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalkyl halidehydrocarbon derivativeorganooxygen compound |
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