| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:45:05 UTC |
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| Update Date | 2025-03-24 21:19:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01742550 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C7H10O2 |
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| Molecular Mass | 126.0681 |
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| SMILES | C=CCC=CC(=O)CO |
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| InChI Key | XBUSWMLRWSWQQS-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 compoundsalcohols and polyolsalpha-hydroxy ketonesenoneshydrocarbon derivativesorganic oxides |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonealpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundfatty alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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