input word = C00063653

Metabolite InformationStructural formula
Name Jasgranoside
Formula C35H48O22
Mw 820.26372322
CAS RN 1118766-44-1
C_ID C00063653
InChIKey ZZFCQXJTAKKMLM-NFRVMZADSA-N
InChICode InChI=1S/C35H48O22/c1-5-14-16(8-22(38)48-2)18(30(46)49-3)11-52-32(14)56-35-29(45)27(43)25(41)21(55-35)13-51-23(39)9-17-15(6-7-36)33(53-12-19(17)31(47)50-4)57-34-28(44)26(42)24(40)20(10-37)54-34/h5-6,11-12,16-17,20-21,24-29,32-37,40-45H,7-10,13H2,1-4H3/b14-5+,15-6+/t16-,17-,20+,21+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1
SMILES CC=C1C(OC2OC(COC(=O)CC3C(C(=O)OC)=COC(OC4OC(CO)C(O)C(O)C4O)C3=CCO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum grandiflorum Ref.
zoom in