input word = C00057818

Metabolite InformationStructural formula
Name 6''-O-Vanilloylicariside E5
Formula C34H40O14
Mw 672.24180599
CAS RN 1203605-97-3
C_ID C00057818
InChIKey ZYTNICITHUBRTI-HJPJPNGLSA-N
InChICode InChI=1S/C34H40O14/c1-43-25-13-19(6-8-23(25)37)11-21(16-36)22-12-18(5-4-10-35)14-27(45-3)32(22)48-34-31(41)30(40)29(39)28(47-34)17-46-33(42)20-7-9-24(38)26(15-20)44-2/h4-9,12-15,21,28-31,34-41H,10-11,16-17H2,1-3H3/b5-4+/t21-,28-,29-,30+,31-,34+/m1/s1
SMILES COc1cc(CC(CO)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](COC(=O)c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
zoom in