| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:48:52 UTC |
|---|
| Update Date | 2025-03-25 00:49:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02175874 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O4 |
|---|
| Molecular Mass | 250.1205 |
|---|
| SMILES | CCC1(O)Cc2c(C)c(C)c(O)c(C)c2OC1=O |
|---|
| InChI Key | YIPYAGJLEICDKT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | 3,4-dihydrocoumarins |
|---|
| Subclass | 3,4-dihydrocoumarins |
|---|
| Direct Parent | 3,4-dihydrocoumarins |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyransbenzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstertiary alcohols |
|---|
| Substituents | alcoholcarbonyl groupbenzopyran1-benzopyran3,4-dihydrocoumarincarboxylic acid derivativelactoneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterchromanehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
