| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:14:34 UTC |
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| Update Date | 2025-03-24 21:59:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01953807 |
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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)CCC(=O)CC=O |
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| InChI Key | KBCROMRRPADBBU-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 | alpha-hydrogen aldehydesbeta ketoaldehydeshydrocarbon derivativesketonesmedium-chain aldehydesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupbeta-ketoaldehydealdehydemedium-chain aldehydeketoneorganic oxideorganic oxygen compoundfatty alcoholalpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativeorganooxygen compound |
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