| Name |
Malvidin 3-O-[6-O-[4-O-[4-O-(6-O-caffeoyl-beta-D-glucopyranosyl)-p-coumaroyl]-alpha-L-rhamnosyl]-beta-D-glucopyranoside]-5-O-beta-D-glucopyranoside |
| Formula |
C59H67O31 |
| Mw |
1271.36663043 |
| CAS RN |
210050-04-7 |
| C_ID |
C00011074
, 
|
| InChIKey |
NSQMDSRNPIHQIW-KHDNUUGQNA-O |
| InChICode |
InChI=1S/C59H66O31/c1-23-54(90-41(65)13-7-24-4-9-28(10-5-24)83-57-50(74)47(71)44(68)38(88-57)21-80-40(64)12-8-25-6-11-30(62)31(63)14-25)49(73)53(77)56(82-23)81-22-39-45(69)48(72)52(76)59(89-39)86-36-19-29-32(84-55(36)26-15-34(78-2)42(66)35(16-26)79-3)17-27(61)18-33(29)85-58-51(75)46(70)43(67)37(20-60)87-58/h4-19,23,37-39,43-54,56-60,67-77H,20-22H2,1-3H3,(H3-,61,62,63,64,66)/p+1/b13-7+/t23-,37+,38+,39+,43+,44+,45+,46-,47-,48+,49-,50+,51-,52+,53-,54-,56+,57+,58+,59+/m0/s1 |
| SMILES |
c1(c2c(cc(c1)O)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)/C=C/c1ccc(cc1)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)O)O)O)O)O)c1cc(c(c(c1)OC)O)OC)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Petunia guarapuavensis | Ref. |
| Plantae | Solanaceae | Petunia hybrida cultivar | Ref. |
|
|
zoom in
| Organism | Petunia guarapuavensis |
|---|
| Reference | Tatsuzawa,Heterocycles,45,(1997),1197 |
|---|
|
