| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:17 UTC |
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| Update Date | 2025-03-21 18:34:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098756 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C8H12O3 |
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| Molecular Mass | 156.0786 |
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| SMILES | CCC=CC(=O)C(C)C(=O)O |
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| InChI Key | BIEKOQCJOZNQGE-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacryloyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidbeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundorganooxygen compoundenonemedium-chain keto acid |
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