input word = C00028770

Metabolite InformationStructural formula
Name O-Methylrobustimine
Formula C19H23NO4
Mw 329.16270823
CAS RN 128508-53-2
C_ID C00028770 ,
InChIKey VZCXOCQQSFKKFK-NYSNOSLPNA-N
InChICode InChI=1S/C19H23NO4/c1-21-13-8-17-19(24-17)4-6-20-5-2-3-12-7-15-16(23-11-22-15)9-14(12)18(19,20)10-13/h7,9,13,17H,2-6,8,10-11H2,1H3/t13-,17+,18+,19+/m0/s1
SMILES c12c(cc3c(c1)[C@@]14N(CCC3)CC[C@]31[C@@H](C[C@@H](C4)OC)O3)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys Secologanin
Organism
Kingdom Family Species Reference
PlantaePhellinaceaePhelline comosa rubusta Ref.
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