input word = C00056499

Metabolite InformationStructural formula
Name Majoroside F1
Formula C48H82O19
Mw 962.54503044
CAS RN 114128-16-4
C_ID C00056499
InChIKey FAJNTKKJVSRNEJ-UHFFFAOYSA-N
InChICode InChI=1S/C48H82O19/c1-21(2)23(52)10-16-48(8,67-42-39(61)36(58)33(55)26(19-50)63-42)22-9-14-47(7)31(22)24(53)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(59)34(56)27(20-51)64-43)66-41-38(60)35(57)32(54)25(18-49)62-41/h22-43,49-61H,1,9-20H2,2-8H3
SMILES OCC1OC(OC2C(O)C(O)C(CO)OC2OC3C(C)(C)C(CCC4(C)C5CC(O)C6C4(C)CCC6C(OC7OC(CO)C(O)C(O)C7O)(C)CCC(O)C(C)=C)C5(C)CC3)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax vietnamensis Ref.
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