input word = C00006809

Metabolite InformationStructural formula
Name Cyanidin 3-(2G-galloylrutinoside)
Formula C34H35O19
Mw 747.17725394
CAS RN 140447-91-2
C_ID C00006809 ,
InChIKey JXHSTLRCBJYSKK-LVNNAOOVNA-O
InChICode InChI=1S/C34H34O19/c1-11-24(41)27(44)29(46)33(49-11)48-10-23-26(43)28(45)31(53-32(47)13-5-19(39)25(42)20(40)6-13)34(52-23)51-22-9-15-17(37)7-14(35)8-21(15)50-30(22)12-2-3-16(36)18(38)4-12/h2-9,11,23-24,26-29,31,33-34,41,43-46H,10H2,1H3,(H6-,35,36,37,38,39,40,42,47)/p+1/t11-,23+,24-,26+,27-,28+,29+,31-,33+,34+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeDendrobium spp. Ref.
PlantaeOrchidaceaeVanda spp. Ref.
PlantaeSapindaceaeAcer acuminatum Ref.
PlantaeSapindaceaeAcer japonicum Ref.
PlantaeSapindaceaeAcer laevigatum Ref.
PlantaeSapindaceaeAcer palmatum Ref.
PlantaeSapindaceaeAcer platanoides Ref.
PlantaeSapindaceaeAcer sieboldianum Ref.
zoom in



OrganismVanda spp.
ReferenceTatsuzawa,Biochem.Syst.Ecol.,32,(2004),651