| Name |
Malvidin 3-O-(6-O-(4-O-alpha-rhamnopyranosyl-beta-glucopyranoside)-5-O-(6-O-malonyl-beta-glucopyranoside) |
| Formula |
C38H47O24 |
| Mw |
887.24572743 |
| CAS RN |
|
| C_ID |
C00011078
, 
|
| InChIKey |
NQHOVUXXRSORBV-UQEMTNEANA-O |
| InChICode |
InChI=1S/C38H46O24/c1-12-25(43)29(47)32(50)36(57-12)56-11-22-28(46)31(49)34(52)38(62-22)60-20-8-15-16(58-35(20)13-4-18(53-2)26(44)19(5-13)54-3)6-14(39)7-17(15)59-37-33(51)30(48)27(45)21(61-37)10-55-24(42)9-23(40)41/h4-8,12,21-22,25,27-34,36-38,43,45-52H,9-11H2,1-3H3,(H2-,39,40,41,44)/p+1/t12-,21+,22-,25+,27-,28-,29+,30+,31-,32+,33-,34-,36-,37-,38-/m1/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)C(O)C2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Oxalidaceae | Oxalis triangularis | Ref. |
|
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