| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:08 UTC |
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| Update Date | 2025-03-25 00:52:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192422 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O5 |
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| Molecular Mass | 256.1311 |
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| SMILES | CCCCCCC=CC(=O)C(O)CC(=O)C(=O)O |
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| InChI Key | RDASYYYXPNDZPC-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 ketonesalpha-keto acids and derivativesbeta-hydroxy ketonescarboxylic acidsenonesfatty alcoholshydrocarbon derivativeshydroxy fatty acidsketo fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidketo fatty acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidefatty alcoholalpha-keto acidhydroxy fatty acidenonealcoholmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compound |
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