| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:53:50 UTC |
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| Update Date | 2025-03-21 22:59:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00613183 |
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| Frequency | 2.6 |
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| Structure | |
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| Chemical Formula | C5H6O3 |
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| Molecular Mass | 114.0317 |
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| SMILES | COC(=O)C=CC=O |
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| InChI Key | CRBJVPSOOMDSPT-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 | enoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesshort-chain aldehydes |
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| Substituents | enoate esteraliphatic acyclic compoundcarbonyl groupshort-chain aldehydealdehydecarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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