input word = C00006791

Metabolite InformationStructural formula
Name Cyanidin 3-(2''-galloylgalactoside)
Formula C28H25O15
Mw 601.11934513
CAS RN 142609-12-9
C_ID C00006791 ,
InChIKey WUJWGTHCPFBYPP-ZGRKQRNDNA-O
InChICode InChI=1S/C28H24O15/c29-9-21-23(37)24(38)26(43-27(39)11-4-17(34)22(36)18(35)5-11)28(42-21)41-20-8-13-15(32)6-12(30)7-19(13)40-25(20)10-1-2-14(31)16(33)3-10/h1-8,21,23-24,26,28-29,37-38H,9H2,(H6-,30,31,32,33,34,35,36,39)/p+1/t21-,23+,24+,26-,28-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAcalypha hispida Ref.
PlantaeNymphaeaceaeVictoria amazonica Ref.
PlantaeNymphaeaceaeVictoria cruziana Ref.
zoom in