| Name |
Cyanidin 3-(6-malonylglucoside)-7-(6-feruloylglucoside)-3'-glucoside |
| Formula |
C46H51O27 |
| Mw |
1035.26177143 |
| CAS RN |
215176-98-0 |
| C_ID |
C00014779
, 
|
| InChIKey |
PNXAVCXVCDUMFM-QSXNETSBNA-O |
| InChICode |
InChI=1S/C46H50O27/c1-64-25-8-17(2-5-21(25)48)3-7-32(53)65-15-29-35(56)38(59)40(61)44(72-29)67-19-10-23(50)20-12-27(70-46-42(63)39(60)36(57)30(73-46)16-66-33(54)13-31(51)52)43(68-24(20)11-19)18-4-6-22(49)26(9-18)69-45-41(62)37(58)34(55)28(14-47)71-45/h2-12,28-30,34-42,44-47,55-63H,13-16H2,1H3,(H3-,48,49,50,51,52,53)/p+1/t28-,29-,30+,34-,35-,36-,37-,38-,39-,40-,41-,42+,44+,45+,46+/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)OC)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Orchidaceae | Sophronitis coccinea | Ref. |
|
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