| Name |
Cyanidin 3-O-[2-O-(2-O-(sinapoyl)-bata-D-xylopyranosyl) 6-O-(4-O-(beta-D-glucopyranosyl)-p-coumaroyl-bata-D-glucopyranoside] 5-O-[6-O-(malonyl) bata-D-glucopyranoside] |
| Formula |
C61H67O34 |
| Mw |
1343.3513743 |
| CAS RN |
|
| C_ID |
C00007570
, 
|
| InChIKey |
QRNIDVBVORPNBX-WKPQKTKSNA-O |
| InChICode |
InChI=1S/C61H66O34/c1-82-35-13-25(14-36(83-2)46(35)73)6-12-43(70)94-56-45(72)32(66)21-86-60(56)95-57-52(79)49(76)40(22-84-42(69)11-5-24-3-8-28(9-4-24)87-58-53(80)50(77)47(74)38(20-62)91-58)93-61(57)90-37-18-29-33(88-55(37)26-7-10-30(64)31(65)15-26)16-27(63)17-34(29)89-59-54(81)51(78)48(75)39(92-59)23-85-44(71)19-41(67)68/h3-18,32,38-40,45,47-54,56-62,66,72,74-81H,19-23H2,1-2H3,(H4-,63,64,65,67,68,70,73)/p+1/b11-5+/t32-,38+,39+,40+,45-,47-,48-,49+,50+,51+,52+,53+,54-,56+,57+,58-,59+,60-,61+/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)O[C@H]2C(O)[C@H](O)CO[C@H]2OC2[C@@H](Oc3cc4c(OC5OC(COC(=O)CC(=O)O)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)OC(COC(=O)/C=C/c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)[C@H](O)[C@@H]2O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Arabidopsis thaliana | Ref. |
|
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