input word = C00006813

Metabolite InformationStructural formula
Name Cyanidin 3-galactoside-5-(6-p-coumarylglucoside)
Formula C36H37O18
Mw 757.19798938
CAS RN 151676-99-2
C_ID C00006813 ,
InChIKey NHTJKRAGLGHCLR-UHFFFAOYNA-O
InChICode InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-4-7-20(40)21(41)9-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29+,30+,31-,32+,33+,35+,36+/m0/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OCC1OC(Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(OC4OC(CO)C(O)C(O)C4O)cc23)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeEustoma grandiflorum Ref.
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