| Name |
Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)
Pelargonidin 3-(2-(6-ferulylglucosyl)-6-p-coumarylglucoside)-5-glucoside |
| Formula |
C52H55O25 |
| Mw |
1079.30324231 |
| CAS RN |
448963-08-4 |
| C_ID |
C00014840
, 
|
| InChIKey |
XOXJWVANDYFNOK-VFEPDSRENA-O |
| InChICode |
InChI=1S/C52H54O25/c1-68-33-16-24(4-13-30(33)57)6-15-39(59)69-21-36-41(61)44(64)47(67)51(75-36)77-49-45(65)42(62)37(22-70-38(58)14-5-23-2-9-26(54)10-3-23)76-52(49)73-34-19-29-31(71-48(34)25-7-11-27(55)12-8-25)17-28(56)18-32(29)72-50-46(66)43(63)40(60)35(20-53)74-50/h2-19,35-37,40-47,49-53,60-67H,20-22H2,1H3,(H3-,54,55,56,57,58,59)/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)cc4)[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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