| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:46 UTC |
|---|
| Update Date | 2025-03-25 00:50:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02182566 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H11O6+ |
|---|
| Molecular Mass | 323.055 |
|---|
| SMILES | O=c1oc2c(O)c(O)ccc2c2ccc(-c3ccc(O)cc3)[o+]c12 |
|---|
| InChI Key | KSHGKGMQKRFRJP-UHFFFAOYSA-O |
|---|
| 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 benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivatives |
|---|
| Substituents | monocyclic benzene moietybenzopyran1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcoumarinlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyranpyranonephenolhydrocarbon derivativebenzenoidorganic cationorganoheterocyclic compoundorganooxygen compound |
|---|
