input word = C00041436

Metabolite InformationStructural formula
Name Cimicifugic acid E
(+)-Cimicifugic acid E
Formula C21H20O10
Mw 432.10564686
CAS RN 219986-67-1
C_ID C00041436 ,
InChIKey CAIGUMKGQLGFBR-YLDCYAMMNA-N
InChICode InChI=1S/C21H20O10/c1-30-16-10-12(4-8-15(16)23)5-9-17(24)31-18(19(25)26)21(29,20(27)28)11-13-2-6-14(22)7-3-13/h2-10,18,22-23,29H,11H2,1H3,(H,25,26)(H,27,28)/b9-5+/t18-,21-/m1/s1
SMILES COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)cc2)C(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeActaea racemosa Ref.
zoom in