thebaine

Chemical Formula:

C₁₉H₂₂NO₃

Molecular Weight:

312.388 Daltons

Monoisotopic Mass:

312.1599685777 Daltons

SMILES:

C[N+]4(CCC35(C1(C(OC)=CC=C(C(CC2(=CC=C(OC)C(O1)=C23))4)5)))

InChI:

1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/p+1/t13-,18+,19+/m1/s1

InChIKey:

FQXXSQDCDRQNQE-VMDGZTHMSA-O

Databases

MetaCyc: CPD-7710

MetaboLights: MTBLC9519

ChEBI: 9519 59953

PubChem (CID): 25244675 11865354

KEGG: C06173

Seed: cpd03683

MetaNetX: MNXM2564