input word = C00026662

Metabolite InformationStructural formula
Name Polyneuridine-N-oxide
Formula C21H24N2O4
Mw 368.17360727
CAS RN 765956-28-3
C_ID C00026662 ,
InChIKey ATIZKZWYIGEWST-NGTNOPARNA-N
InChICode InChI=1S/C21H24N2O4/c1-3-12-10-23(26)17-9-15(12)21(11-24,20(25)27-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3-/t15-,17-,18-,21+,23+/m0/s1
SMILES [C@H]12[C@]([C@H]3N(=O)([C@H](c4[nH]c5ccccc5c4C3)C1)C/C/2=C/C)(C(=O)OC)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeOchrosia acuminata Ref.
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