| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:47 UTC |
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| Update Date | 2025-03-25 00:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221664 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12Cl2O5 |
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| Molecular Mass | 306.0062 |
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| SMILES | O=C(O)CCC(CC(=O)O)Oc1ccc(Cl)cc1Cl |
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| InChI Key | DAZXZYUNXIPBCD-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 | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdichlorobenzeneshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | carbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acid1,3-dichlorobenzeneorganic oxidemedium-chain fatty acidaryl chloridechlorobenzenehalogenated fatty acidaryl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compound |
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