EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:89405 - 3-Methoxy-4-hydroxyphenylglycol glucuronide
| Formula | C15H20O10 |
| Net Charge | 0 |
| Average Mass | 360.315 |
| Monoisotopic Mass | 360.10565 |
| SMILES | COc1cc(C(O)CO)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C15H20O10/c1-23-9-4-6(7(17)5-16)2-3-8(9)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,7,10-13,15-20H,5H2,1H3,(H,21,22)/t7?,10-,11-,12+,13-,15+/m0/s1 |
| InChIKey | VMWCOZPKGQMCRO-UICVJNQZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (6403958) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Methoxy-4-hydroxyphenylglycol glucuronide (CHEBI:89405) is a glucosiduronic acid (CHEBI:24302) |
| Synonyms | Source |
|---|---|
| MHPG glucuronide | HMDB |
| (2S,3S,4S,5R,6S)-6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0000496 | HMDB |
| Beta-D-Glucuronides | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| CAS:52002-41-2 | KEGG COMPOUND |
| Citations |
|---|