| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:45:43 UTC |
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| Update Date | 2025-03-21 22:56:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00594046 |
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| Frequency | 2.7 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | C=CC(=O)C(=O)OCC |
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| InChI Key | BAVFNIOVBGSPTG-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-keto acids and derivativescarboxylic acid estersenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic 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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