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CHEBI:5319 - Gentiodelphin
| Formula | C51H53O28 |
| Net Charge | +1 |
| Average Mass | 1113.957 |
| Monoisotopic Mass | 1113.27179 |
| SMILES | O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc(-c3[o+]c4cc(O)cc(O[C@@H]5O[C@H](COC(=O)/C=C/c6ccc(O)c(O)c6)[C@@H](O)[C@H](O)[C@H]5O)c4cc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1 |
| InChIKey | CMHKKALEZOJWDP-JXKRDHHRSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Gentiodelphin (CHEBI:5319) is a anthocyanidin glycoside (CHEBI:71583) |
| Synonym | Source |
|---|---|
| Gentiodelphin | KEGG COMPOUND |