| Name |
Malvidin 3-O-[6-O-[4-O-[4-O-(6-O-caffeoyl-beta-D-glucopyranosyl)caffeoyl]-alpha-L-rhamnosyl]-beta-D-glucopyranoside]-5-O-beta-D-glucopyranoside |
| Formula |
C59H67O32 |
| Mw |
1287.36154505 |
| CAS RN |
210050-03-6 |
| C_ID |
C00011075
, 
|
| InChIKey |
ABHQAJURQQRCCE-TXESDXCYNA-O |
| InChICode |
InChI=1S/C59H66O32/c1-22-54(91-41(66)11-7-24-5-9-31(30(64)13-24)85-57-51(76)47(72)44(69)38(89-57)20-81-40(65)10-6-23-4-8-28(62)29(63)12-23)49(74)53(78)56(83-22)82-21-39-45(70)48(73)52(77)59(90-39)87-36-18-27-32(84-55(36)25-14-34(79-2)42(67)35(15-25)80-3)16-26(61)17-33(27)86-58-50(75)46(71)43(68)37(19-60)88-58/h4-18,22,37-39,43-54,56-60,68-78H,19-21H2,1-3H3,(H4-,61,62,63,64,65,67)/p+1/b11-7+/t22-,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/c1cc(c(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)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 hybrida cultivar |
|---|
| Reference | Fukui,Phytochem.,47,(1998),1409 |
|---|
|
