input word = C00027095

Metabolite InformationStructural formula
Name Quaternine
Formula C23H28N2O5
Mw 412.19982202
CAS RN 57499-02-2
C_ID C00027095 ,
InChIKey IMTNXQPCOHYKEO-FRAHAVLQNA-N
InChICode InChI=1S/C23H28N2O5/c1-6-12-11-25-18-7-13(12)20(21(26)29-5)22-10-19(25)30-23(18,22)24(2)15-9-17(28-4)16(27-3)8-14(15)22/h6,8-9,13,18-20H,7,10-11H2,1-5H3/b12-6-/t13-,18-,19-,20-,22-,23-/m0/s1
SMILES [C@@]123O[C@@H]4N5[C@H]3C[C@@H](/C(=C\C)/C5)[C@H]([C@@]2(c2c(cc(c(c2)OC)OC)N1C)C4)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
PlantaeApocynaceaeAlstonia quaternata Ref.
PlantaeApocynaceaeRauvolfia vomitoria Ref.
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