| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:54:57 UTC |
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| Update Date | 2025-03-24 14:06:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00758564 |
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| Frequency | 2.0 |
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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=CC(=O)CC(C)CO |
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| InChI Key | BEHKNVOWXRQSJH-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 compoundsenoneshydrocarbon derivativesketonesorganic oxidesprimary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundfatty alcoholhydrocarbon derivativeacryloyl-groupprimary alcoholorganooxygen compoundenone |
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