Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 14:50:57 UTC |
---|
Update Date | 2025-03-25 00:50:24 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID02180702 |
---|
Frequency | 0.5 |
---|
Structure | |
---|
Chemical Formula | C18H28O4 |
---|
Molecular Mass | 308.1988 |
---|
SMILES | Cc1c(C)c2c(c(C)c1O)COC(C)(CCCC(C)(C)O)O2 |
---|
InChI Key | UPKMYAJWYGBKAS-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organoheterocyclic compounds |
---|
Class | benzodioxanes |
---|
Subclass | benzo-1,3-dioxanes |
---|
Direct Parent | benzo-1,3-dioxanes |
---|
Geometric Descriptor | aromatic heteropolycyclic compounds |
---|
Alternative Parents | benzenoidshydrocarbon derivativesketalsoxacyclic compoundstertiary alcohols |
---|
Substituents | alcoholbenzo-1,3-dioxaneoxacycletertiary alcoholorganic oxygen compoundacetalaromatic heteropolycyclic compoundketalhydrocarbon derivativebenzenoidorganooxygen compound |
---|