input word = C00014872

Metabolite InformationStructural formula
Name Epiafzelechin(4alpha->8)pelargonidin 3-O-beta-glucopyranoside
Formula C36H33O15
Mw 705.18194539
CAS RN 753008-67-2
C_ID C00014872 ,
InChIKey UCHHYHHTRCIREP-PTVKHXEKNA-O
InChICode InChI=1S/C36H32O15/c37-13-25-29(44)31(46)32(47)36(50-25)49-24-11-19-20(41)12-22(43)27(35(19)51-33(24)14-1-5-16(38)6-2-14)28-26-21(42)9-18(40)10-23(26)48-34(30(28)45)15-3-7-17(39)8-4-15/h1-12,25,28-32,34,36-37,44-47H,13H2,(H5-,38,39,40,41,42,43)/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(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFragaria x ananassa Ref.
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