| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:03 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176329 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O3 |
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| Molecular Mass | 158.0943 |
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| SMILES | CC(O)C(O)CCC=CC=O |
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| InChI Key | SSAHTBSGBXMPPA-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 | 1,2-diolshydrocarbon derivativesmedium-chain aldehydesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupaldehydemedium-chain aldehydeorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
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