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thebaine

PropertiesImageOccurences in reactions
MNX_IDMNXM2564Image of MNXM2564
#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
formulaC19H22NO3
charge1
mass312.15942
referencechebi:59953
InChIKeyFQXXSQDCDRQNQE-VMDGZTHMSA-O
InChIInChI=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
SMILESCOC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[NH+]3C)[C@H]1O5
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:59953
chebi:59953 		thebaine
3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan-17-ium
thebaine(1+)
kegg.compound:C06173
keggC:C06173 		Thebaine
seed.compound:cpd03683
seedM:cpd03683 		Thebaine
thebaine
metacyc.compound:CPD-7710
metacycM:CPD-7710 		thebaine
CHEBI:9519
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
keggC:M_C06173
seedM:M_cpd03683 		secondary/obsolete/fantasy identifier