| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:21:59 UTC |
|---|
| Update Date | 2025-03-21 18:37:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115145 |
|---|
| Frequency | 22.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H12O4 |
|---|
| Molecular Mass | 304.0736 |
|---|
| SMILES | O=c1oc2cc(-c3ccc(O)cc3)ccc2c2ccc(O)cc12 |
|---|
| InChI Key | CQTGEWBXGJUJEY-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | monocyclic benzene moietybenzopyran1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidisocoumarincoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonephenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
