| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:42 UTC |
|---|
| Update Date | 2025-03-25 00:56:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219138 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H10O5 |
|---|
| Molecular Mass | 270.0528 |
|---|
| SMILES | COc1ccc2c(c1)oc(=O)c1ccc3c(c12)OCO3 |
|---|
| InChI Key | BHRYQBABBFACDB-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-benzopyrans2-benzopyransacetalsalkyl aryl ethersanisolesbenzodioxolesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | phenol etherbenzopyranether1-benzopyranheteroaromatic compoundalkyl aryl etherisocoumarincoumarinlactoneoxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundpyrananisole2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundbenzodioxole |
|---|
