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

Feedback

magnoflorine

	Properties	Image
MNX_ID	MNXM8854
reference	chebi:6641
formula	C₂₀H₂₄NO₄
global charge	1
mol weight	342.415
InChIKey	YLRXAIKMLINXQY-ZDUSSCGKSA-O
InChI	InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
SMILES	COC1=CC2=C3C(=C1O)C1=C(C=CC(OC)=C1O)C[C@@H]3[N+](C)(C)CC2

MNX internals

InChI (mnx)	InChI=1/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/t13-/m0/s1
SMILES (mnx)	[CH3:1][N+:21]1([CH3:2])[CH2:8][CH2:7][C:12]2=[CH:10][C:15]([O:25][CH3:4])=[C:20]([O-:23])[C:18]3=[C:16]2[C@@H:13]1[CH2:9][C:11]1=[C:17]3[C:19]([OH:22])=[C:14]([O:24][CH3:3])[CH:6]=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:6641 chebi:6641 YLRXAIKMLINXQY-ZDUSSCGKSA-O	magnoflorine (+)-magnoflorine (6aS)-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium (S)-magnoflorine
metacyc.compound:CPD-9936 metacycM:CPD-9936 YLRXAIKMLINXQY-ZDUSSCGKSA-O	(S)-magnoflorine (6aS)-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium
vmhM:mgnf vmhmetabolite:mgnf YLRXAIKMLINXQY-ZDUSSCGKSA-O	Magnoflorine
seed.compound:cpd06476 seedM:cpd06476 YLRXAIKMLINXQY-ZDUSSCGKSA-O	Magnoflorine (6aS)-1,11-dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium (S)-magnoflorine magnoflorine
kegg.compound:C09581 keggC:C09581 YLRXAIKMLINXQY-ZDUSSCGKSA-O	Magnoflorine (S)-Magnoflorine
keggC:M_C09581 seedM:M_cpd06476 vmhM:M_mgnf	secondary/obsolete/fantasy identifier