| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:56:39 UTC |
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| Update Date | 2025-03-24 22:25:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01194408 |
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| Frequency | 1.1 |
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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 | CC(=CC(=O)CO)C(=O)O |
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| InChI Key | ZWZJWOSKTDNNFF-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 acids and conjugates |
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| Direct Parent | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalcohols and polyolsalpha-hydroxy ketonescarboxylic acidsenoneshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesshort-chain hydroxy acids and derivativesunsaturated fatty acids |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
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