input word = C00059805

Metabolite InformationStructural formula
Name Delphinidin 3-O-(6-O-(E)-p-coumaroyl)-beta-D-glucopyranoside
Formula C30H27O14.Cl
Mw 646.10893328
CAS RN 138680-89-4
C_ID C00059805
InChIKey SNOKBIZAFDCDSB-XYXWSWTISA-N
InChICode InChI=1S/C30H26O14.ClH/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14;/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37);1H/t23-,26-,27+,28-,30-;/m1./s1
SMILES O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)C1O.[Cl-]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCommelinaceaeCommelina communis Ref.
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