| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:26:51 UTC |
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| Update Date | 2025-03-24 16:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00978939 |
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| Frequency | 1.4 |
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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 | CC(C)=CC(=O)OCCO |
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| InChI Key | ICBJBNAUJWZPBY-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 | alcohols and polyolscarbonyl compoundsenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | enoate esteralcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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