input word = C00052409

Metabolite InformationStructural formula
Name Simulanoquinoline
Formula C37H34N2O7
Mw 618.23660146
CAS RN 155416-22-1
C_ID C00052409
InChIKey NUVWARFQHKLGOS-UHFFFAOYSA-N
InChICode InChI=1S/C37H34N2O7/c1-37(15-14-24-34(46-37)23-8-7-9-27(41-4)33(23)39(3)36(24)40)18-26-31-21(12-13-28(42-5)35(31)43-6)22-11-10-20-16-29-30(45-19-44-29)17-25(20)32(22)38(26)2/h7-17,26H,18-19H2,1-6H3
SMILES O=C1N(C)C2=C(C=CC=C2OC)C3=C1C=CC(CC4N(C)C(C5=CC6=C7OCO6)=C(C=CC5=C7)C(C=C8)=C4C(OC)=C8OC)(C)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum simulans Ref.
zoom in