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 COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N+]3(C)[O-])[C@H]1O5
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaePapaveraceaePapaver bracteatum Ref.
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