| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:44 UTC |
|---|
| Update Date | 2025-03-25 00:49:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02175591 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H22O4 |
|---|
| Molecular Mass | 278.1518 |
|---|
| SMILES | CC(C)CC(=O)OC(=O)CCC(O)Cc1ccccc1 |
|---|
| InChI Key | NJMGTSSXAUJQHM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid anhydridesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
|---|
