| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:54:11 UTC |
|---|
| Update Date | 2025-03-21 18:04:07 UTC |
|---|
| HMDB ID | HMDB0030818 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00048595 |
|---|
| Name | Scoparone |
|---|
| Frequency | 68.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H10O4 |
|---|
| Molecular Mass | 206.0579 |
|---|
| SMILES | COc1cc2ccc(=O)oc2cc1OC |
|---|
| InChI Key | GUAFOGOEJLSQBT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | coumarins and derivatives |
|---|
| Subclass | coumarins and derivatives |
|---|
| Direct Parent | coumarins and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyransalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | phenol etheretherbenzopyran1-benzopyranheteroaromatic compoundalkyl aryl ethercoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrananisolepyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
