| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:45 UTC |
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| Update Date | 2025-03-25 00:58:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232726 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O2 |
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| Molecular Mass | 112.0524 |
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| SMILES | CCC(=O)C#CCO |
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| InChI Key | DKLLSKRLKZVHBU-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 | alcohols and polyolsalpha,beta-unsaturated ketoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonealcoholaliphatic acyclic compoundcarbonyl grouporganic oxideorganic oxygen compoundfatty alcoholhydrocarbon derivativealpha,beta-unsaturated ketoneorganooxygen compound |
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