input word = C00026935

Metabolite InformationStructural formula
Name Quadrigemine I
(+)-Quadrigemine I
Formula C44H50N8
Mw 690.41584365
CAS RN 235099-49-7
C_ID C00026935 ,
InChIKey AVQUGAAZHJLAOQ-FNBKWTBENA-N
InChICode InChI=1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-14-30-35(29)47-38-42(30,20-24-50(38)2)31-15-10-16-32-36(31)48-40-44(32,22-26-52(40)4)43-21-25-51(3)39(43)46-34-18-8-6-12-28(34)43/h5-18,37-40,45-48H,19-26H2,1-4H3/t37-,38-,39+,40-,41-,42-,43-,44+/m1/s1
SMILES CN1CC[C@]2(c3cccc4c3N[C@@H]3N(C)CC[C@]43c3cccc4c3N[C@@H]3N(C)CC[C@]43[C@@]34CCN(C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@H]12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePsychotria oleoides Ref.
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