| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:35:16 UTC |
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| Update Date | 2025-03-21 21:52:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00427007 |
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| Frequency | 4.2 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | COC(=O)C=C(C)C(=O)O |
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| InChI Key | TXHMXVHHWXUAQZ-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 | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estershydrocarbon derivativesmethyl estersmethyl-branched fatty acidsorganic oxidesshort-chain hydroxy acids and derivativesunsaturated fatty acids |
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| Substituents | enoate esteraliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidcarboxylic acid derivativebranched fatty acidalpha,beta-unsaturated carboxylic esterunsaturated fatty acidfatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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