| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:54:28 UTC |
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| Update Date | 2025-03-21 18:53:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00191546 |
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| Frequency | 11.8 |
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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 | CC=CC(=O)CC(C)O |
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| InChI Key | URLFXTNOVJHWDW-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 alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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