input word = C00006645

Metabolite InformationStructural formula
Name Pelargonidin 3-robinobioside-5-glucoside
Formula C33H41O19
Mw 741.22420413
CAS RN
C_ID C00006645 ,
InChIKey YTMOEUVNNYCFEO-XZVYGTDBNA-O
InChICode InChI=1S/C33H40O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,11,19-29,31-34,37-45H,9-10H2,1H3,(H-,35,36)/p+1/t11-,19-,20+,21+,22-,23+,24+,25+,26-,27-,28-,29+,31-,32-,33-/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)C(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeEustoma grandiflorum Ref.
zoom in