input word = C00042134

Metabolite InformationStructural formula
Name 3-Oxomehranine
(-)-3-Oxomehranine
Formula C20H24N2O2
Mw 324.18377802
CAS RN 219758-22-2
C_ID C00042134 ,
InChIKey XBEXJLDOQUEDLH-MYRBJMAMNA-N
InChICode InChI=1S/C20H24N2O2/c1-3-19-9-8-14-20(12-6-4-5-7-13(12)21(14)2)10-11-22(18(19)20)17(23)15-16(19)24-15/h4-7,14-16,18H,3,8-11H2,1-2H3/t14-,15-,16+,18-,19+,20-/m0/s1
SMILES N12[C@H]3[C@@]([C@H]4[C@@H](C1=O)O4)(CC[C@H]1[C@]3(CC2)c2c(N1C)cccc2)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana bovina Ref.
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