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 COc1ccc(/C=C/C(=O)O[C@@H]2C(CO)O[C@@H](OCCc3ccc(OC)c(O)c3)[C@@H](O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicrorhiza scrophulariiflora PENNELL Ref.
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