| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:37 UTC |
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| Update Date | 2025-03-25 00:49:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175325 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O3 |
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| Molecular Mass | 196.1099 |
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| SMILES | CCCCC=CC=C(C(C)=O)C(=O)O |
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| InChI Key | PXILSFVGAIDUGZ-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 compoundsalpha-branched alpha,beta-unsaturated ketonesbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | fatty acylalpha-branched alpha,beta-unsaturated-ketonebeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidbeta-keto acidketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
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