| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:36 UTC |
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| Update Date | 2025-03-25 00:58:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230084 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O4 |
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| Molecular Mass | 212.1049 |
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| SMILES | CCCCC=CC(=O)C(C)C(=O)C(=O)O |
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| InChI Key | DPEWRIHUDYVOEO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbeta-diketonescarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compound1,3-diketoneorganooxygen compoundenonemedium-chain keto acid |
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