| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:07 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181096 |
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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)CC(=O)CCCCCCCC(O)CC(=O)O |
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| InChI Key | MRDQNPBUGTZVAE-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 | beta hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketo fatty acidsorganic oxidessecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidketo fatty acidhydroxy acidcarboxylic acid derivativebeta-keto acidketonebeta-hydroxy acidorganic oxideorganic oxygen compoundketo acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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