| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:27 UTC |
|---|
| Update Date | 2025-03-25 00:59:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236602 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H12O4 |
|---|
| Molecular Mass | 292.0736 |
|---|
| SMILES | COc1ccc2c(c1)oc(=O)c1cc3ccc(O)cc3cc12 |
|---|
| InChI Key | PWDNGNKSSWOVFM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | naphthopyrans |
|---|
| Subclass | naphthopyranones |
|---|
| Direct Parent | naphthopyranones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransalkyl aryl ethersanisolescoumarins and derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesnaphthols and derivativesorganic oxidesoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | phenol etherether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherlactoneorganic oxidearomatic heteropolycyclic compoundpyranone2-naphtholbenzopyranheteroaromatic compoundisocoumarincoumarinnaphthopyranoneoxacyclenaphthaleneorganic oxygen compoundpyrananisole2-benzopyranhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
