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

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salutaridine

	Properties	Image
MNX_ID	MNXM2280
reference	metacycM:SALUTARIDINE
formula	C₁₉H₂₂NO₄
global charge	1
mol weight	328.388
InChIKey	GVTRUVGBZQJVTF-YJYMSZOUSA-O
InChI	InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/p+1/t13-,19+/m1/s1
SMILES	COC1=C[C@]23CC[NH+](C)[C@H](CC4=C2C(O)=C(OC)C=C4)C3=CC1=O

MNX internals

InChI (mnx)	InChI=1/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1
SMILES (mnx)	[CH3:1][N:20]1[CH2:7][CH2:6][C@:19]23[CH:10]=[C:16]([O:24][CH3:3])[C:14](=[O:21])[CH:9]=[C:12]2[C@H:13]1[CH2:8][C:11]1=[C:17]3[C:18]([OH:22])=[C:15]([O:23][CH3:2])[CH:5]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:SALUTARIDINE metacycM:SALUTARIDINE GVTRUVGBZQJVTF-YJYMSZOUSA-O	salutaridine 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one
seed.compound:cpd03084 seedM:cpd03084 GVTRUVGBZQJVTF-YJYMSZOUSA-O	Salutaridine 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7- one 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one Sinoacutine salutaridine
kegg.compound:C05179 keggC:C05179 GVTRUVGBZQJVTF-BSOCMFCZSA-N	Salutaridine 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one Sinoacutine
CHEBI:58061 chebi:58061 GVTRUVGBZQJVTF-BSOCMFCZSA-O	salutaridine 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-17-ium-7-one salutaridine cation salutaridine(1+) salutaridinium cation salutaridinium(1+)
CHEBI:17225 chebi:17225 GVTRUVGBZQJVTF-BSOCMFCZSA-N	salutaridine 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one 5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one Salutaridine Sinoacutine
chebi:15062 chebi:26598 chebi:9015 keggC:M_C05179 seedM:M_cpd03084	secondary/obsolete/fantasy identifier