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 O=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(O[C@@H]4OC(COC(=O)/C=Cc5ccc(O)cc5)[C@@H](O)[C@H](O)C4O)cc23)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCommelinaceaeCommelina communis Ref.
PlantaeHyacinthaceaeHyacinthus orientalis Ref.
PlantaeThemidaceaeTriteleia bridgesii Ref.
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