input word = C00014873

Metabolite InformationStructural formula
Name Catechin(4alpha->8)pelargonidin 3-O-beta-glucopyranoside
Formula C36H33O16
Mw 721.17686001
CAS RN 753008-65-0
C_ID C00014873 ,
InChIKey GYFCZBFMXPYBAY-PTVKHXEKNA-O
InChICode InChI=1S/C36H32O16/c37-12-25-29(45)31(47)32(48)36(51-25)50-24-10-17-19(41)11-22(44)27(35(17)52-33(24)13-1-4-15(38)5-2-13)28-26-21(43)8-16(39)9-23(26)49-34(30(28)46)14-3-6-18(40)20(42)7-14/h1-11,25,28-32,34,36-37,45-48H,12H2,(H6-,38,39,40,41,42,43,44)/p+1/t25-,28+,29-,30-,31+,32+,34-,36-/m1/s1
SMILES OCC1O[C@@H](Oc2cc3c(O)cc(O)c([C@@H]4c5c(O)cc(O)cc5O[C@H](c5ccc(O)c(O)c5)[C@@H]4O)c3[o+]c2-c2ccc(O)cc2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFragaria x ananassa Ref.
zoom in