input word = C00051645

Metabolite InformationStructural formula
Name Mubenin A
Formula C53H86O21
Mw 1058.56615981
CAS RN 5600-25-9
C_ID C00051645
InChIKey YGMHHMMSBNQBEP-UHFFFAOYNA-N
InChICode InChI=1S/C53H86O21/c1-23-32(55)38(61)42(74-45-41(64)37(60)34(57)27(71-45)21-67-43-40(63)36(59)33(56)26(20-54)70-43)46(69-23)72-28-22-68-44(39(62)35(28)58)73-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,47(65)66)18-16-51(24,52)7/h9,23,25-46,54-64H,10-22H2,1-8H3,(H,65,66)
SMILES CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(OC=O)CCC45C)C3(C)C)C(O)C2O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeStauntonia hexaphylla Ref.
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