| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:07 UTC |
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| Update Date | 2025-03-25 00:49:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O6 |
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| Molecular Mass | 272.126 |
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| SMILES | O=C(O)CCCCC=CC(=O)C(O)CCCC(=O)O |
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| InChI Key | SDERJMBKILTPGW-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 | acryloyl compoundsacyloinsalpha-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesenonesfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxideorganic oxygen compoundfatty alcoholacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
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