input word = C00050888

Metabolite InformationStructural formula
Name Isocimicifugamide
(-)-Isocimicifugamide
Formula C25H31NO10
Mw 505.19479622
CAS RN 156318-64-8
C_ID C00050888
InChIKey UYSRWDYTMGBBHP-CZDODAGRNA-N
InChICode InChI=1S/C25H31NO10/c1-33-18-11-15(3-6-16(18)28)9-10-26-21(29)8-5-14-4-7-17(19(12-14)34-2)35-25-24(32)23(31)22(30)20(13-27)36-25/h3-8,11-12,20,22-25,27-28,30-32H,9-10,13H2,1-2H3,(H,26,29)/b8-5-/t20-,22+,23+,24-,25-/m1/s1
SMILES COc1cc(CCNC(=O)/C=Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga dahurica Ref.
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