| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:48 UTC |
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| Update Date | 2025-03-25 00:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232846 |
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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=C(O)CCC(O)CC=O |
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| InChI Key | IJKQPGDRIWITDQ-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 | alpha-hydrogen aldehydesbeta-hydroxy aldehydeshydrocarbon derivativesmedium-chain aldehydesorganic oxidessecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupaldehydemedium-chain aldehydeorganic oxideorganic oxygen compoundfatty alcoholalpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativeorganooxygen compound |
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