input word = C00006805

Metabolite InformationStructural formula
Name Cyanidin 3-(6''-p-coumarylsophoroside)
Formula C36H37O18
Mw 757.19798938
CAS RN
C_ID C00006805 ,
InChIKey DJXVKAPFACGRPO-UHFFFAOYNA-O
InChICode InChI=1S/C36H36O18/c37-13-25-28(44)30(46)32(48)35(52-25)54-34-31(47)29(45)26(14-49-27(43)8-3-15-1-5-17(38)6-2-15)53-36(34)51-24-12-19-21(41)10-18(39)11-23(19)50-33(24)16-4-7-20(40)22(42)9-16/h1-12,25-26,28-32,34-37,44-48H,13-14H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30+,31+,32-,34+,35+,36-/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium grandiflorum Ref.
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