input word = C00038339

Metabolite InformationStructural formula
Name 9-Demethylprotoemetinol
Formula C18H27NO3
Mw 305.19909374
CAS RN 84590-09-0
C_ID C00038339 ,
InChIKey BQKULDKJGYXIKE-FUABDCAVNA-N
InChICode InChI=1S/C18H27NO3/c1-3-12-11-19-6-4-14-9-17(21)18(22-2)10-15(14)16(19)8-13(12)5-7-20/h9-10,12-13,16,20-21H,3-8,11H2,1-2H3/t12-,13-,16-/m0/s1
SMILES c1c(c(cc2c1[C@H]1N(CC2)C[C@@H]([C@H](C1)CCO)CC)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeCephaelis acuminata Ref.
zoom in