| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:45 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221606 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13ClO5 |
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| Molecular Mass | 260.0452 |
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| SMILES | O=C(O)CC(O)C(O)Cc1ccc(O)c(Cl)c1 |
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| InChI Key | GVKDMQQDQPPBNT-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzeneshalogenated fatty acidshalophenolshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridessecondary alcohols |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidbeta-hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acid1,2-diolaryl chloride2-chlorophenolchlorobenzenealcoholhalogenated fatty acidhydroxy acidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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