| Name |
(6'''-O-(Delphinidin 3-O-(6''-O-p-coumaroyl-glucoside) 7-O-glucosyl)) (6''''-O-(kaempferol 3,7-di-O-glucoside, 4'-O-glucosyl))succinate |
| Formula |
C73H79O42 |
| Mw |
1627.40459166 |
| CAS RN |
270062-82-3 |
| C_ID |
C00014802
, 
|
| InChIKey |
WBACEWHKWYCCAO-BWMQXVTFNA-O |
| InChICode |
InChI=1S/C73H78O42/c74-20-40-50(85)56(91)61(96)70(110-40)106-31-16-34(78)48-38(18-31)108-67(68(55(48)90)115-73-65(100)57(92)51(86)41(21-75)111-73)26-4-8-29(9-5-26)104-69-62(97)58(93)52(87)42(112-69)22-102-46(82)11-12-47(83)103-23-43-53(88)59(94)63(98)71(113-43)105-30-15-33(77)32-19-39(66(107-37(32)17-30)27-13-35(79)49(84)36(80)14-27)109-72-64(99)60(95)54(89)44(114-72)24-101-45(81)10-3-25-1-6-28(76)7-2-25/h1-10,13-19,40-44,50-54,56-65,69-75,85-89,91-100H,11-12,20-24H2,(H5-,76,77,78,79,80,81,84,90)/p+1/t40-,41+,42+,43+,44+,50+,51+,52+,53+,54+,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,69+,70+,71+,72+,73-/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/c1ccc(cc1)O)O)O)O)c1cc(c(c(c1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc1ccc(cc1)c1c(c(=O)c2c(o1)cc(cc2O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Agapanthaceae | Agapanthus praecox | Ref. |
|
|
zoom in
|
