| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:11:37 UTC |
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| Update Date | 2025-03-21 23:10:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00654678 |
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| Frequency | 2.4 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | C=CCC(=O)CC(C)O |
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| InChI Key | AGGIKILZAFIRBO-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 | beta-hydroxy ketoneshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupketoneorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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