| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:54 UTC |
|---|
| Update Date | 2025-03-21 18:40:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00129188 |
|---|
| Frequency | 19.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8O3 |
|---|
| Molecular Mass | 176.0473 |
|---|
| SMILES | COc1cc(=O)oc2ccccc12 |
|---|
| InChI Key | MLCMXDYMSAZNPC-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 ethersbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivativesvinylogous esters |
|---|
| Substituents | etherbenzopyran1-benzopyranvinylogous esterheteroaromatic compoundalkyl aryl ethercoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
