| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:56 UTC |
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| Update Date | 2025-03-25 00:54:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203353 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22O6 |
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| Molecular Mass | 274.1416 |
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| SMILES | O=C(O)C=CC(O)C(O)CCCCCCCC(=O)O |
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| InChI Key | WRDBSACFAMAYLQ-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 | long-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholsunsaturated fatty acids |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidcarboxylic acid derivativeunsaturated fatty acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound1,2-diol |
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