| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:26 UTC |
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| Update Date | 2025-03-25 00:49:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174877 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18O3 |
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| Molecular Mass | 198.1256 |
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| SMILES | CCCC=CC(=O)C(C)C(=O)OCC |
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| InChI Key | IRAWYEOLJZEVLS-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 | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacryloyl compoundscarboxylic acid estersenonesfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundorganooxygen compoundenone |
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