EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H19O10 |
| Net Charge | +1 |
| Average Mass | 419.362 |
| Monoisotopic Mass | 419.09727 |
| SMILES | Oc1cc(O)c2cc(OC3OC[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)[o+]c2c1 |
| InChI | InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1/t14-,17+,18-,20?/m1/s1 |
| InChIKey | KUCVMQMKRICXJC-VPMKNENCSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cyanidin-3-O-xyloside (CHEBI:746932) is a organic molecular entity (CHEBI:50860) |
| Citations |
|---|