MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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codeinone

MNXM114188 is deprecated and here replaced by MNXM726877
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM726877
reference	chebi:58473
formula	C₁₈H₂₀NO₃
global charge	1
mol weight	298.362
InChIKey	XYYVYLMBEZUESM-CMKMFDCUSA-O
InChI	InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/p+1/t11-,12+,17-,18-/m0/s1
SMILES	COC1=C2O[C@H]3C(=O)C=C[C@H]4[C@H]5CC(=C2[C@@]34CC[NH+]5C)C=C1

MNX internals

InChI (mnx)	InChI=1/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
SMILES (mnx)	[CH3:1][N:19]1[CH2:8][CH2:7][C@@:18]23[C@H:11]4[CH:4]=[CH:5][C:13](=[O:20])[C@@H:17]2[O:22][C:16]2=[C:14]([O:21][CH3:2])[CH:6]=[CH:3][C:10](=[C:15]23)[CH2:9][C@H:12]41

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58473 chebi:58473 XYYVYLMBEZUESM-CMKMFDCUSA-O	codeinone 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-17-ium-6-one codeinone cation codeinone(1+)
sabiork.compound:8436 sabiorkM:8436 XYYVYLMBEZUESM-CMKMFDCUSA-N	7,8-Didehydro-4,5-epoxy-3-methoxy-17-methoxy-(5_)-morphinan-6-one Codeinone
kegg.compound:C06171 keggC:C06171 XYYVYLMBEZUESM-CMKMFDCUSA-N	Codeinone (5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one
seed.compound:cpd03681 seedM:cpd03681 XYYVYLMBEZUESM-CMKMFDCUSA-O	Codeinone (5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one 7,8-Didehydro-4,5-epoxy-3-methoxy-17-methoxy-(5_)-morphinan-6-one codeinone
CHEBI:18399 chebi:18399 XYYVYLMBEZUESM-CMKMFDCUSA-N	codeinone (5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one 3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6-one Codeinone
metacyc.compound:CODEINONE metacycM:CODEINONE XYYVYLMBEZUESM-CMKMFDCUSA-O	codeinone 3-methoxy-17-methyl-7,8-didehydro-4,5a-epoxymorphinan-6-one
chebi:14007 chebi:2248 chebi:23349 keggC:M_C06171 seedM:M_cpd03681	secondary/obsolete/fantasy identifier