| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:37 UTC |
|---|
| Update Date | 2025-03-21 18:40:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00128551 |
|---|
| Frequency | 19.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H8O5 |
|---|
| Molecular Mass | 208.0372 |
|---|
| SMILES | COc1cc(=O)oc2cc(O)cc(O)c12 |
|---|
| InChI Key | LBJOCGIMKXSJLL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | coumarins and derivatives |
|---|
| Subclass | hydroxycoumarins |
|---|
| Direct Parent | 7-hydroxycoumarins |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscoumarins and derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundspyranones and derivativesvinylogous esters |
|---|
| Substituents | etherbenzopyran7-hydroxycoumarin1-benzopyranvinylogous esterheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
|---|
