| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:58 UTC |
|---|
| Update Date | 2025-03-25 00:47:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02164640 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O4 |
|---|
| Molecular Mass | 210.0892 |
|---|
| SMILES | CC(OCC(=O)O)C(O)c1ccccc1 |
|---|
| InChI Key | JOOVWLSMHQTOFL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aromatic alcoholscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholcarbonyl groupethercarboxylic acidcarboxylic acid derivativedialkyl etherphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
