| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:18 UTC |
|---|
| Update Date | 2025-03-21 18:28:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00074870 |
|---|
| Frequency | 39.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O3 |
|---|
| Molecular Mass | 234.1256 |
|---|
| SMILES | Cc1c(C)c2c(c(C)c1O)C(=O)CC(C)(C)O2 |
|---|
| InChI Key | ZTLCFIJBECJUHW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | 2,2-dimethyl-1-benzopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesbenzenoidschromoneshydrocarbon derivativesorganic oxidesoxacyclic compounds |
|---|
| Substituents | etheraryl alkyl ketone2,2-dimethyl-1-benzopyranalkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
|---|
