| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:02:37 UTC |
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| Update Date | 2025-03-24 19:52:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01063580 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | CCC(O)C=C=CC(C)=O |
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| InChI Key | PHTXOQIIKNIGFE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty alcohols |
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| Direct Parent | fatty alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupketoneorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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