input word = C00014816

Metabolite InformationStructural formula
Name Delphinidin 3-(6-(Z)-p-coumaroylglucoside)-5-(6-malonylglucoside)
Formula C39H39O22
Mw 859.19329793
CAS RN 138752-16-6
C_ID C00014816 ,
InChIKey LXITVYYZHYMDFB-HSYMYMFWNA-O
InChICode InChI=1S/C39H38O22/c40-17-4-1-15(2-5-17)3-6-28(46)55-13-25-31(49)34(52)36(54)39(61-25)59-24-11-19-22(57-37(24)16-7-20(42)30(48)21(43)8-16)9-18(41)10-23(19)58-38-35(53)33(51)32(50)26(60-38)14-56-29(47)12-27(44)45/h1-11,25-26,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,48)/p+1/t25-,26+,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C\c1ccc(cc1)O)O)O)O)c1cc(c(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)CC(=O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeHyacinthus orientalis Ref.
PlantaeThemidaceaeTriteleia bridgesii Ref.
zoom in