input word = C00025165

Metabolite InformationStructural formula
Name Diaboline
Formula C21H24N2O3
Mw 352.17869265
CAS RN 509-40-0
C_ID C00025165 ,
InChIKey QSDMAJZSSDNJPO-GRNBFMRBNA-N
InChICode InChI=1S/C21H24N2O3/c1-12(24)23-16-5-3-2-4-15(16)21-7-8-22-11-13-6-9-26-20(25)18(19(21)23)14(13)10-17(21)22/h2-6,14,17-20,25H,7-11H2,1H3/t14-,17-,18+,19-,20+,21+/m0/s1
SMILES c1ccc2c(c1)[C@@]13[C@@H](N2C(=O)C)[C@H]2[C@H]4C[C@@H]1N(CC3)CC4=CCO[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos atlantica Ref.
PlantaeLonganiaceaeStrychnos diaboli Ref.
PlantaeLonganiaceaeStrychnos lucida Ref.
PlantaeLonganiaceaeStrychnos spinosa Ref.
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OrganismStrychnos diaboli
ReferenceKing,J.Chem.Soc.,(1949),955