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 c1(cc(c2c(c1)O[C@@H]([C@@H]([C@@H]2c1c(cc(c2c1[o+]c(c(c2)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFragaria x ananassa Ref.
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OrganismFragaria x ananassa
ReferenceFossen,Phytochem.,65,(2004),1421