| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:28 UTC |
|---|
| Update Date | 2025-03-21 18:29:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00080145 |
|---|
| Frequency | 36.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H16O12 |
|---|
| Molecular Mass | 436.0642 |
|---|
| SMILES | O=C(O)C1OC(Oc2cc3oc4cc(O)cc(O)c4c(=O)c3cc2O)C(O)C(O)C1O |
|---|
| InChI Key | PLJVUNIPYCMPRC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 1-benzopyrans |
|---|
| Direct Parent | xanthones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
|---|
| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxanealcoholxanthonepyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
