| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:20 UTC |
|---|
| Update Date | 2025-03-25 00:46:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154312 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O6 |
|---|
| Molecular Mass | 254.079 |
|---|
| SMILES | COc1cc(C=CC(O)(O)CC(=O)O)ccc1O |
|---|
| InChI Key | MCAASYBOZTWMAP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbocyclic fatty acidscarbonyl compoundscarbonyl hydratescarboxylic acidscinnamyl alcoholsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
|---|
| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidcarbonyl hydrate1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcinnamyl alcoholalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemedium-chain fatty acidhydroxy fatty acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
