input word = C00050666

Metabolite InformationStructural formula
Name 25-O-Methylcimigenol
O-Methylcimigenol
Formula C31H50O5
Mw 502.36582471
CAS RN 20528-90-9
C_ID C00050666
InChIKey ZBGCVOZXXHKPFL-NOWJNILLNA-N
InChICode InChI=1S/C31H50O5/c1-17-15-18-23(26(4,5)34-8)36-31(35-18)22(17)27(6)13-14-30-16-29(30)12-11-21(32)25(2,3)19(29)9-10-20(30)28(27,7)24(31)33/h17-24,32-33H,9-16H2,1-8H3/t17-,18-,19+,20+,21+,22-,23+,24-,27-,28-,29-,30+,31+/m1/s1
SMILES COC(C)(C)[C@H]1OC23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga acerina Ref.
PlantaeRanunculaceaeCimicifuga simplex Ref.
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