input word = C00038828

Metabolite InformationStructural formula
Name Conophyllidine
Formula C44H50N4O9
Mw 778.35777923
CAS RN 152406-44-5
C_ID C00038828 ,
InChIKey XVLKCTCGGIJHCK-UHFFFAOYNA-N
InChICode InChI=1S/C44H50N4O9/c1-7-41-10-9-13-47-14-11-43(39(41)47)24-16-21-28(18-26(24)45-34(43)22(19-41)37(51)55-5)57-33-30(21)48-15-12-44-25-17-27(49)31(53-3)32(54-4)29(25)46-35(44)23(38(52)56-6)20-42(8-2,36(33)50)40(44)48/h9-10,16-18,30,33,36,39-40,45-46,49-50H,7-8,11-15,19-20H2,1-6H3/t30-,33-,36+,39-,40-,41+,42+,43-,44-/m1/s1
SMILES c12c(cc3c(c1)[C@@H]1[C@@H](O3)[C@@H]([C@]3([C@H]4N1CC[C@]14C(=C(C3)C(=O)OC)Nc3c1cc(c(c3OC)OC)O)CC)O)NC1=C(C[C@]3([C@@H]4[C@]21CCN4CC=C3)CC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia officinalis Ref.
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