input word = C00035694

Metabolite InformationStructural formula
Name N(4)-Demethylalstonerinal
Formula C20H22N2O2
Mw 322.16812796
CAS RN 701304-80-5
C_ID C00035694 ,
InChIKey OFYVAURZLGIEIY-JOEUZDEDNA-N
InChICode InChI=1S/C20H22N2O2/c1-11-15(9-23)13-7-18-20-14(8-17(21-18)16(13)10-24-11)12-5-3-4-6-19(12)22(20)2/h3-6,9,13,16-18,21H,7-8,10H2,1-2H3/t13-,16+,17-,18-/m0/s1
SMILES [C@H]12[C@H](C(=C(OC1)C)C=O)C[C@H]1c3c(C[C@@H]2N1)c1c(n3C)cccc1
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia angustifolia Ref.
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