| Name |
Malvidin 3-(6''-p-coumarylglucoside)-5-(2'''-acetylxyloside) |
| Formula |
C39H41O19 |
| Mw |
813.22420413 |
| CAS RN |
148100-99-6,148154-67-0 |
| C_ID |
C00006906
, 
|
| InChIKey |
KVEPXARQPYSKAI-HQAVIONKNA-O |
| InChICode |
InChI=1S/C39H40O19/c1-17(40)54-37-31(45)23(43)15-53-39(37)56-25-13-21(42)12-24-22(25)14-28(36(55-24)19-10-26(50-2)32(46)27(11-19)51-3)57-38-35(49)34(48)33(47)29(58-38)16-52-30(44)9-6-18-4-7-20(41)8-5-18/h4-14,23,29,31,33-35,37-39,43,45,47-49H,15-16H2,1-3H3,(H2-,41,42,44,46)/p+1/t23-,29+,31+,33+,34-,35-,37+,38+,39+/m0/s1 |
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC[C@@H](O)[C@H](O)C4OC(C)=O)c3cc2O[C@@H]2OC(COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)C(O)C2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Tibouchina urvilleana | Ref. |
|
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