| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:28 UTC |
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| Update Date | 2025-03-21 17:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020834 |
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| Frequency | 193.4 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | CCCCC(=O)C(=O)OC |
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| InChI Key | GJIQBFATAJWGCL-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 | alpha-keto acids and derivativeshydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativeketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundketo acidcarboxylic acid esteralpha-keto acidhydrocarbon derivativeorganooxygen compound |
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