| Name |
Pelargonidin 3-[6'''-(3-glucosylcaffeyl)sophoroside]-5-glucoside |
| Formula |
C48H57O28 |
| Mw |
1081.30363624 |
| CAS RN |
|
| C_ID |
C00006788
, 
|
| InChIKey |
HCSCLDNLPDSFBA-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C48H56O28/c49-13-27-32(56)36(60)40(64)45(72-27)69-24-11-20(53)10-23-21(24)12-26(43(68-23)18-3-5-19(52)6-4-18)71-48-44(39(63)34(58)29(15-51)74-48)76-47-42(66)38(62)35(59)30(75-47)16-67-31(55)8-2-17-1-7-22(54)25(9-17)70-46-41(65)37(61)33(57)28(14-50)73-46/h1-12,27-30,32-42,44-51,56-66H,13-16H2,(H2-,52,53,54,55)/p+1/t27-,28+,29+,30+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41-,42+,44+,45+,46+,47-,48+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1)OCC1OC(OC2C(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)OC(CO)C(O)C2O)C(O)C(O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea nil  | Ref. |
|
|
zoom in
| Organism | Ipomoea nil |
|---|
| Reference | Harborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins
Lu,Phytochem.,31,(1992),289 |
|---|
|
