input word =
C00025063
Metabolite Information
Structural formula
Name
(+)-Kopsoffine
Kopsoffine
Formula
C40H48N4O2
Mw
616.37772681
CAS RN
89783-67-5
C_ID
C00025063 ,
InChIKey
BIJHVDNGQCIFEQ-BJWIWUJCNA-N
InChICode
InChI=1S/C40H48N4O2/c1-3-37-13-6-18-42-20-12-27-26-8-4-5-9-31(26)44(33(27)34(37)42)32(24-37)25-10-11-30-28(22-25)39-17-21-43-19-7-14-38(36(39)43)15-16-40(39,41-30)29(23-38)35(45)46-2/h4-5,8-11,22,29,32,34,36,41H,3,6-7,12-21,23-24H2,1-2H3/t29-,32+,34+,36-,37-,38+,39+,40+/m0/s1
SMILES
C1CC[C@@]2([C@@H]3N1CCc1c3n([C@H](C2)c2ccc3c(c2)[C@]24[C@@]5(N3)CC[C@@]3([C@@H]4N(CCC3)CC2)C[C@H]5C(=O)OC)c2c1cccc2)CC
Start Substs in Alk. Biosynthesis (Prediction)
L-Trp
L-Pro
Secologanin
IPP
Organism
Kingdom
Family
Species
Reference
Plantae
Apocynaceae
Kopsia hainanensis
Ref.
Plantae
Apocynaceae
Kopsia macrophylla
Ref.
Plantae
Apocynaceae
Kopsia officinalis
Ref.
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