| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:18:40 UTC |
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| Update Date | 2025-03-25 01:23:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02382233 |
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| Frequency | 0.5 |
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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 | COC(=O)CC(C)=C=O |
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| InChI Key | CBYVTZIZMFSPBT-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 methyl esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesketenesmethyl estersmonocarboxylic acids and derivativesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundynolatecarboxylic acid esterhydrocarbon derivativeketeneorganooxygen compound |
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