| Name |
Cyanidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside) |
| Formula |
C40H41O22 |
| Mw |
873.208948 |
| CAS RN |
123453-03-2 |
| C_ID |
C00006826
, 
|
| InChIKey |
MWFHUILXIXNBKO-UNIQTTKGNA-O |
| InChICode |
InChI=1S/C40H40O22/c1-55-25-8-16(2-5-21(25)43)3-7-30(47)56-14-27-32(49)35(52)37(54)40(62-27)60-26-12-19-23(58-38(26)17-4-6-20(42)22(44)9-17)10-18(41)11-24(19)59-39-36(53)34(51)33(50)28(61-39)15-57-31(48)13-29(45)46/h2-12,27-28,32-37,39-40,49-54H,13-15H2,1H3,(H4-,41,42,43,44,45,46,47)/p+1/t27-,28+,32-,33-,34-,35+,36+,37-,39+,40+/m0/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O)c1ccc(c(c1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Perilla frutescens  | Ref. |
|
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