input word = C00002173

Metabolite InformationStructural formula
Name Hydroquinidine
Formula C20H26N2O2
Mw 326.19942809
CAS RN 1435-55-8
C_ID C00002173 ,
InChIKey LJOQGZACKSYWCH-YNHRJVTQNA-N
InChICode InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13-,14-,19+,20-/m0/s1
SMILES CC[C@H]1C[N@]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma marcgravianum Ref.
PlantaeRubiaceaeCinchona officinalis Ref.
PlantaeRubiaceaeRemijia pedunculata Ref.
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