| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:52 UTC |
|---|
| Update Date | 2025-03-25 00:55:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02212643 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20O |
|---|
| Molecular Mass | 204.1514 |
|---|
| SMILES | CCCCCC1OCc2cc(C)ccc21 |
|---|
| InChI Key | QNSXKLAKQVWMII-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isocoumarans |
|---|
| Subclass | isocoumarans |
|---|
| Direct Parent | isocoumarans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | benzenoidsdialkyl ethershydrocarbon derivativesoxacyclic compounds |
|---|
| Substituents | oxacycleetherisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoiddialkyl etherorganooxygen compound |
|---|
