| Name |
Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside |
| Formula |
C45H49O27 |
| Mw |
1021.24612137 |
| CAS RN |
215176-96-8 |
| C_ID |
C00014776
, 
|
| InChIKey |
JGXXTVGRCOEWPD-OGDSSDGXNA-O |
| InChICode |
InChI=1S/C45H48O27/c46-13-27-33(55)36(58)40(62)44(70-27)68-25-8-17(3-5-21(25)48)42-26(69-45-41(63)38(60)35(57)29(72-45)15-65-32(54)12-30(51)52)11-19-22(49)9-18(10-24(19)67-42)66-43-39(61)37(59)34(56)28(71-43)14-64-31(53)6-2-16-1-4-20(47)23(50)7-16/h1-11,27-29,33-41,43-46,55-63H,12-15H2,(H4-,47,48,49,50,51,52,53)/p+1/t27-,28+,29-,33+,34+,35+,36-,37-,38-,39-,40-,41+,43+,44+,45+/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)CC(=O)O)O)O)O)c1cc(c(cc1)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Orchidaceae | Sophronitis coccinea | Ref. |
|
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