| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:28:56 UTC |
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| Update Date | 2025-03-24 22:14:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01127501 |
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| Frequency | 1.2 |
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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(=CO)C(=O)C(=O)O |
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| InChI Key | XBFSKVJYHMRWJV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | fatty acylalpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain keto acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidketonevinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativehydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
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