| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:33:45 UTC |
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| Update Date | 2025-03-24 17:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00995493 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | C=C(C)C(=O)C(=O)OCC |
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| InChI Key | XBEMDLANOLUIJO-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 acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-keto acids and derivativescarboxylic acid estersenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonecarboxylic acid derivativeketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto acidhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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