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CHEBI:6665 - Malonylawobanin
| Formula | C39H39O22 |
| Net Charge | +1 |
| Average Mass | 859.719 |
| Monoisotopic Mass | 859.19275 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C39H38O22/c40-17-4-1-15(2-5-17)3-6-28(46)55-13-25-31(49)34(52)36(54)39(61-25)59-24-11-19-22(57-37(24)16-7-20(42)30(48)21(43)8-16)9-18(41)10-23(19)58-38-35(53)33(51)32(50)26(60-38)14-56-29(47)12-27(44)45/h1-11,25-26,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,48)/p+1/t25-,26-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1 |
| InChIKey | LXITVYYZHYMDFB-AWJFVBHYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Malonylawobanin (CHEBI:6665) is a anthocyanidin glycoside (CHEBI:71583) |
| Synonym | Source |
|---|---|
| Malonylawobanin | KEGG COMPOUND |