| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:15 UTC |
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| Update Date | 2025-03-25 00:45:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151697 |
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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 | CC(=CC(=O)C(C)(C)C)CCC(=O)O |
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| InChI Key | NHZCHEANFPEGBM-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundscarboxylic acidsenonesfatty acylshydrocarbon derivativesketonesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidacryloyl-grouporganooxygen compoundenone |
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