input word = C00064036

Metabolite InformationStructural formula
Name Jaspolyoside
Formula C42H54O23
Mw 926.30558804
CAS RN 175448-04-1
C_ID C00064036
InChIKey ZSDZAAGIXHPEHF-UHFFFAOYSA-N
InChICode InChI=1S/C42H54O23/c1-5-19-21(12-29(46)58-10-9-18-7-8-25(44)26(45)11-18)23(37(54)56-3)15-61-40(19)65-42-36(53)34(51)32(49)28(63-42)17-59-30(47)13-22-20(6-2)39(60-16-24(22)38(55)57-4)64-41-35(52)33(50)31(48)27(14-43)62-41/h5-8,11,15-16,21-22,27-28,31-36,39-45,48-53H,9-10,12-14,17H2,1-4H3
SMILES CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC1OC(OC2OC=C(C(=O)OC)C(CC(=O)OCCc3ccc(O)c(O)c3)C2=CC)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum grandiflorum Ref.
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