Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:18:25 UTC |
---|
Update Date | 2025-03-21 18:35:37 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00106470 |
---|
Frequency | 25.3 |
---|
Structure | |
---|
Chemical Formula | C11H12O4 |
---|
Molecular Mass | 208.0736 |
---|
SMILES | O=C(O)CC(O)C=Cc1cccc(O)c1 |
---|
InChI Key | JPBHCRBYESQJOH-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | phenylpropanoids and polyketides |
---|
Class | cinnamyl alcohols |
---|
Subclass | cinnamyl alcohols |
---|
Direct Parent | cinnamyl alcohols |
---|
Geometric Descriptor | aromatic homomonocyclic compounds |
---|
Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
---|
Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcinnamyl alcoholcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
---|