input word = C00051589

Metabolite InformationStructural formula
Name Methylcimicifugoside
Formula C38H56O11
Mw 688.38226263
CAS RN 73105-52-9
C_ID C00051589
InChIKey VRTVTAZDTQOYIV-UHFFFAOYNA-N
InChICode InChI=1S/C38H56O11/c1-18-13-38(30-35(7,48-30)31(43-8)49-38)47-21-14-33(5)23-10-9-22-32(3,4)24(46-29-28(42)27(41)20(40)16-44-29)11-12-36(22)17-37(23,36)15-25(45-19(2)39)34(33,6)26(18)21/h10,18,20-22,24-31,40-42H,9,11-17H2,1-8H3
SMILES COC1OC2(CC(C)C3C(CC4(C)C5=CCC6C(C)(C)C(OC7OCC(O)C(O)C7O)CCC67CC57CC(OC(C)=O)C34C)O2)C2OC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga simplex Ref.
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OrganismCimicifuga simplex
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979)