| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:42 UTC |
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| Update Date | 2025-03-25 00:58:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232611 |
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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=C(CC(=O)O)C(=O)CC |
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| InChI Key | XUIRIIYSGASQFM-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 ketonesbranched fatty acidscarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylalpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
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