| Name |
Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)
Pelargonidin 3-(2-(6-ferulylglucosyl)-6-caffeylglucoside)-5-glucoside |
| Formula |
C52H55O26 |
| Mw |
1095.29815693 |
| CAS RN |
448963-05-1 |
| C_ID |
C00014835
, 
|
| InChIKey |
RGYSDPXLNRDNJW-VFEPDSRENA-O |
| InChICode |
InChI=1S/C52H54O26/c1-69-33-15-23(3-11-29(33)57)5-13-39(60)70-20-36-41(62)44(65)47(68)51(76-36)78-49-45(66)42(63)37(21-71-38(59)12-4-22-2-10-28(56)30(58)14-22)77-52(49)74-34-18-27-31(72-48(34)24-6-8-25(54)9-7-24)16-26(55)17-32(27)73-50-46(67)43(64)40(61)35(19-53)75-50/h2-18,35-37,40-47,49-53,61-68H,19-21H2,1H3,(H4-,54,55,56,57,58,59,60)/p+1/t35-,36+,37-,40-,41-,42-,43+,44+,45+,46-,47+,49-,50-,51+,52-/m1/s1 |
| SMILES |
COc1cc(/C=C/C(=O)OCC2O[C@@H](OC3[C@H](Oc4cc5c(O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)cc(O)cc5[o+]c4-c4ccc(O)cc4)OC(COC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](O)[C@@H]3O)C(O)[C@@H](O)[C@@H]2O)ccc1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Raphanus sativus  | Ref. |
| Plantae | Gentianaceae | Gentiana lutea L. var. aurantiaca | Ref. |
|
|
zoom in
| Organism | Gentiana lutea L. var. aurantiaca |
|---|
| Reference | Diretto, G. et al., PLoS ONE, 14, (2019), e0212062. |
|---|
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