EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:176845 - Cyanidin 3-diferuloyl sophoroside-5-glucoside
| Formula | C53H57O27 |
| Net Charge | +1 |
| Average Mass | 1126.012 |
| Monoisotopic Mass | 1125.30817 |
| SMILES | COc1cc(/C=C/C(=O)OCC2OC(OC3C(Oc4cc5c(OC6OC(CO)C(O)C(O)C6O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)OC(COC(=O)/C=C/c4ccc(O)c(OC)c4)C(O)C3O)C(O)C(O)C2O)ccc1O |
| InChI | InChI=1S/C53H56O27/c1-70-33-13-22(3-8-28(33)57)5-11-39(60)72-20-37-42(63)45(66)48(69)52(78-37)80-50-46(67)43(64)38(21-73-40(61)12-6-23-4-9-29(58)34(14-23)71-2)79-53(50)76-35-18-26-31(74-49(35)24-7-10-27(56)30(59)15-24)16-25(55)17-32(26)75-51-47(68)44(65)41(62)36(19-54)77-51/h3-18,36-38,41-48,50-54,62-69H,19-21H2,1-2H3,(H4-,55,56,57,58,59,60,61)/p+1 |
| InChIKey | QUHCTUWYNUUFRI-UHFFFAOYSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ipomoea batatas (ncbitaxon:4120) | root (BTO:0001188) | MetaboLights (MTBLS2956) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cyanidin 3-diferuloyl sophoroside-5-glucoside (CHEBI:176845) is a anthocyanidin glycoside (CHEBI:71583) |