| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:07 UTC |
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| Update Date | 2025-03-25 00:52:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196851 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O3 |
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| Molecular Mass | 170.0943 |
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| SMILES | CCC=CC(=O)C(C)(C)C(=O)O |
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| InChI Key | SXRJPUUUBPLIJK-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 | acryloyl 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-grouporganooxygen compoundenonemedium-chain keto acid |
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