| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:51 UTC |
|---|
| Update Date | 2025-03-25 01:00:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02242055 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H16O6 |
|---|
| Molecular Mass | 280.0947 |
|---|
| SMILES | CC(C)CC(=O)OC(C(=O)O)c1ccccc1C(=O)O |
|---|
| InChI Key | XIBBLVRIZAZXPX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzyloxycarbonyls |
|---|
| Direct Parent | benzyloxycarbonyls |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
|---|
| Substituents | benzyloxycarbonylfatty acylcarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativestricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
|---|
