| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:42:51 UTC |
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| Update Date | 2025-03-25 01:32:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02438891 |
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| Frequency | 0.5 |
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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)=CC(=O)CC(C)O |
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| InChI Key | ACZURBSEWNWNBT-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 compoundsbeta-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidessecondary alcoholsvinylogous acidsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketoneketonevinylogous acidorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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