| Name |
Pelargonidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside] |
| Formula |
C57H63O31 |
| Mw |
1243.3353303 |
| CAS RN |
140635-53-6 |
| C_ID |
C00011088
, 
|
| InChIKey |
DDFXCVSHCJQENK-OORVDYQANA-O |
| InChICode |
InChI=1S/C57H62O31/c58-18-35-41(67)45(71)49(75)54(84-35)81-32-16-26(61)15-31-27(32)17-34(52(80-31)24-5-7-25(60)8-6-24)83-57-53(48(74)44(70)38(87-57)21-79-39(65)11-3-22-1-9-28(62)30(64)13-22)88-56-51(77)47(73)43(69)37(86-56)20-78-40(66)12-4-23-2-10-29(63)33(14-23)82-55-50(76)46(72)42(68)36(19-59)85-55/h1-17,35-38,41-51,53-59,67-77H,18-21H2,(H4-,60,61,62,63,64,65,66)/p+1/t35-,36-,37+,38+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51+,53-,54+,55+,56-,57+/m0/s1 |
| SMILES |
c1cc(ccc1c1[o+]c2c(cc1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(c(c1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(c(c1)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O)O)c(cc(c2)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea nil  | Ref. |
| Plantae | Convolvulaceae | Ipomoea purpurea | Ref. |
|
|
zoom in
| Organism | Ipomoea nil |
|---|
| Reference | Lu,Phytochem.,31,(1992),289 |
|---|
|
