Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:18:12 UTC |
---|
Update Date | 2025-03-21 18:35:29 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00105914 |
---|
Frequency | 25.5 |
---|
Structure | |
---|
Chemical Formula | C9H14O6 |
---|
Molecular Mass | 218.079 |
---|
SMILES | CCOC(=O)C1(O)CC(=O)C(O)C(O)C1 |
---|
InChI Key | JTEHJFXQACMBMQ-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organic oxygen compounds |
---|
Class | organooxygen compounds |
---|
Subclass | alcohols and polyols |
---|
Direct Parent | cyclitols and derivatives |
---|
Geometric Descriptor | aliphatic homomonocyclic compounds |
---|
Alternative Parents | carboxylic acid esterscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
---|
Substituents | carbonyl groupcyclitol or derivativescyclic ketonecarboxylic acid derivativeketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acid estersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
---|