| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:22 UTC |
|---|
| Update Date | 2025-03-21 18:06:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00060669 |
|---|
| Frequency | 51.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H12O2 |
|---|
| Molecular Mass | 224.0837 |
|---|
| SMILES | Cc1ccc(C)c2c1oc(=O)c1ccccc12 |
|---|
| InChI Key | XSTIUYOJEXISDR-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-benzopyransbenzenoidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | benzopyran1-benzopyranheteroaromatic compoundisocoumarincoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
