| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:00:43 UTC |
|---|
| Update Date | 2025-03-25 00:53:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02202855 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H20O8 |
|---|
| Molecular Mass | 424.1158 |
|---|
| SMILES | O=C1CCc2c1c(OC1OC(C(=O)O)C(O)C(O)C1O)cc1c2ccc2ccccc21 |
|---|
| InChI Key | KIUOWHJIZFDHAV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenanthrenes and derivatives |
|---|
| Subclass | phenanthrenes and derivatives |
|---|
| Direct Parent | phenanthrenes and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesindanonesmonocarboxylic acids and derivativesmonosaccharidesnaphthaleneso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcohols |
|---|
| Substituents | phenol ethercarbonyl groupcarboxylic acidaryl alkyl ketoneglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholphenanthrenepyran carboxylic acid or derivativesindanonehydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundpyranindanesecondary alcoholhydrocarbon derivativeorganooxygen compoundaryl ketone |
|---|
