| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:25 UTC |
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| Update Date | 2025-03-21 18:32:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089387 |
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| Frequency | 31.6 |
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| Structure | |
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| Chemical Formula | C5H6O4 |
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| Molecular Mass | 130.0266 |
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| SMILES | CC(=O)C(O)=CC(=O)O |
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| InChI Key | KCVKUYGSPBIUGK-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 compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonescarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesshort-chain hydroxy acids and derivativesunsaturated fatty acidsvinylogous acids |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneunsaturated fatty acidvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
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