input word = C00051870

Metabolite InformationStructural formula
Name 9,7'-O,O-Didemethylcephaeline
Formula C26H34N2O4
Mw 438.25185759
CAS RN
C_ID C00051870
InChIKey
InChICode InChI=1S/C26H34N2O4/c1-3-15-14-28-7-5-17-11-25(31)26(32-2)13-20(17)22(28)9-18(15)8-21-19-12-24(30)23(29)10-16(19)4-6-27-21/h10-13,15,18,21-22,27,29-31H,3-9,14H2,1-2H3/t15-,18-,21+,22-/m0/s1
SMILES c1c(c(cc2c1CCN1[C@H]2C[C@@H]([C@H](C1)CC)C[C@H]1NCCc2c1cc(c(c2)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePsychotria ipecacuanha Ref.
zoom in