| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:46:51 UTC |
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| Update Date | 2025-03-24 21:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01888527 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | COC(=O)C=C(O)C(C)=O |
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| InChI Key | AWXBQVMIDYDWHP-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-hydroxy ketonesenoate estersenoneshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | enoate esteralpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterfatty acid estervinylogous acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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