| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:44 UTC |
|---|
| Update Date | 2025-03-25 00:56:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219252 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H24O8 |
|---|
| Molecular Mass | 416.1471 |
|---|
| SMILES | COc1ccc2c(c1)CCc1ccccc1C2OC1OC(C(=O)O)C(O)C(O)C1O |
|---|
| InChI Key | WQUMJNNKLOYXIB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | dibenzocycloheptenes |
|---|
| Subclass | dibenzocycloheptenes |
|---|
| Direct Parent | dibenzocycloheptenes |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | phenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy aciddibenzocyclohepteneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
