| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:42:52 UTC |
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| Update Date | 2025-03-24 21:45:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01879034 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | C=C(C)C(=O)C(=O)C(=O)O |
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| InChI Key | QITMHYUACWJYEG-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-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxidealpha-keto acidenonealpha-branched alpha,beta-unsaturated-ketonemethyl-branched fatty acidalpha-diketonebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compound |
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