| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:53:42 UTC |
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| Update Date | 2025-03-24 21:49:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01904454 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | CC(=O)C(O)=CCC(C)O |
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| InChI Key | RJFDICUTQWIUMM-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 compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholalpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonealpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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