input word = C00029115

Metabolite InformationStructural formula
Name Thebaine N-oxide
Formula C19H21NO4
Mw 327.14705817
CAS RN 81600-02-4
C_ID C00029115 ,
InChIKey PMXUJDPQAVEYII-ZALZPKMMNA-N
InChICode InChI=1S/C19H21NO4/c1-20(21)9-8-19-12-5-7-15(23-3)18(19)24-17-14(22-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+,20+/m1/s1
SMILES c12c3[C@]45C(=CC=C([C@@H]4Oc3c(cc2)OC)OC)[C@@H](C1)N(=O)(CC5)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaePapaveraceaePapaver bracteatum Ref.
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OrganismPapaver bracteatum
ReferenceSariyar,Planta Med.,58,(1992),368