| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:04 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226776 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O5 |
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| Molecular Mass | 204.0998 |
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| SMILES | CC(O)CC=CC(=O)C(O)C(O)CO |
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| InChI Key | DBWRDSNKLVFEID-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 compoundsacyloinsalpha-hydroxy ketonesbeta-hydroxy ketonesenoneshydrocarbon derivativesmonosaccharidesorganic oxidesprimary alcoholssecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupb'-hydroxy-alpha,beta-unsaturated-ketonemonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketoneketonesaccharideorganic oxideorganic oxygen compoundfatty alcoholacyloinsecondary alcoholhydrocarbon derivativeacryloyl-groupprimary alcoholorganooxygen compoundenone |
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