input word = C00001873

Metabolite InformationStructural formula
Name Isothebaine
Formula C19H21NO3
Mw 311.15214354
CAS RN 568-21-8
C_ID C00001873 ,
InChIKey RQCOQZNIQLKGTN-UGPWUYPHNA-N
InChICode InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1
SMILES COc1cc2c3c(c1O)-c1c(cccc1OC)C[C@@H]3N(C)CC2
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaePapaveraceaePapaver bracteatum Ref.
PlantaePapaveraceaePapaver macrantha Ref.
PlantaePapaveraceaePapaver orientale Ref.
PlantaePapaveraceaePapaver orientalis Ref.
PlantaePapaveraceaePapaver pseudo-orientale Ref.
PlantaePapaveraceaePapaver pseudorientale Ref.
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OrganismPapaver orientale
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21