thebaine

Properties MNX_ID MNXM2564 formula C19H22NO3 charge 1 mass 312.38292 reference chebi:59953

InChIKey	FQXXSQDCDRQNQE-VMDGZTHMSA-O
InChI	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
SMILES	COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CC[NH+]3C)c45

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	7
Distinct compatimentalized reactions in models	0

Similar chemical compounds in external resources

Identifier	Description
keggC:M_C06173 seedM:M_cpd03683	secondary/obsolete/fantasy identifier
seedM:cpd03683	Thebaine thebaine
chebi:9519	thebaine (5R,9R,13S)-4,5-epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien (5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan 3-O-methyl-oripavin 4,5alpha-epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien Thebaine paramorphine
chebi:59953	thebaine 3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan-17-ium thebaine(1+)
metacycM:CPD-7710	thebaine
keggC:C06173	Thebaine