| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:50 UTC |
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| Update Date | 2025-03-25 00:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235224 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O3 |
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| Molecular Mass | 156.0786 |
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| SMILES | COC(=O)C=CC(=O)C(C)C |
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| InChI Key | MXGDZSJYAGQXTM-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 compoundsenoate estersenoneshydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | enoate esteraliphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonecarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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