input word = C00024146

Metabolite InformationStructural formula
Name Scroside C
Formula C37H50O21
Mw 830.28445866
CAS RN 211566-99-3
C_ID C00024146 ,
InChIKey YCUZIQVNQCOAFH-NSCOQIAKNA-N
InChICode InChI=1S/C37H50O21/c1-50-20-6-3-16(11-18(20)41)5-8-25(43)56-32-24(15-40)55-35(52-10-9-17-4-7-21(51-2)19(42)12-17)31(49)33(32)57-37-34(29(47)27(45)23(14-39)54-37)58-36-30(48)28(46)26(44)22(13-38)53-36/h3-8,11-12,22-24,26-42,44-49H,9-10,13-15H2,1-2H3/b8-5+/t22-,23+,24-,26+,27+,28+,29+,30-,31-,32+,33-,34-,35+,36-,37-/m0/s1
SMILES O1[C@@H](OCCc2ccc(c(c2)O)OC)[C@@H](O)[C@@H]([C@@H]([C@@H]1CO)OC(=O)/C=C/c1ccc(c(c1)O)OC)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)CO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariiflora PENNELL Ref.
zoom in