| Name |
(6''-O-(Pelargonidin 3-O-[2''-O-(beta-D-xylopyranosyl)-beta-D-galactopyranosyl]))((4-O-(beta-D-glucopyranosyl-trans-caffeoyl)-O-tartaryl)malonate |
| Formula |
C48H51O30 |
| Mw |
1107.2465153 |
| CAS RN |
345642-77-5 |
| C_ID |
C00014770
, 
|
| InChIKey |
QYKNMIKCKRGWKE-VRQKAVNPNA-O |
| InChICode |
InChI=1S/C48H50O30/c49-14-28-34(59)36(61)39(64)47(74-28)72-25-7-1-17(9-23(25)53)2-8-30(55)76-42(44(65)66)43(45(67)68)77-32(57)13-31(56)69-16-29-35(60)37(62)41(78-46-38(63)33(58)24(54)15-70-46)48(75-29)73-27-12-21-22(52)10-20(51)11-26(21)71-40(27)18-3-5-19(50)6-4-18/h1-12,24,28-29,33-39,41-43,46-49,54,58-64H,13-16H2,(H5-,50,51,52,53,65,66,67,68)/p+1/b8-2+/t24-,28+,29+,33-,34+,35-,36-,37-,38-,39-,41+,42-,43-,46-,47+,48+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(O)c1)OC(C(=O)O)C(OC(=O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O[C@@H]2OC[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@H]1O)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Anemone coronaria | Ref. |
|
|
zoom in
|
