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

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palmatine

	Properties	Image
MNX_ID	MNXM1849
reference	chebi:16096
formula	C₂₁H₂₂NO₄
global charge	1
mol weight	352.41
InChIKey	QUCQEUCGKKTEBI-UHFFFAOYSA-N
InChI	InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
SMILES	COC1=CC2=C(C=C1OC)C1=[N+](C=C3C(=C1)C=CC(OC)=C3OC)CC2

MNX internals

InChI (mnx)	InChI=1/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
SMILES (mnx)	[CH3:1][O:23][C:18]1=[C:21]([O:26][CH3:4])[C:16]2=[CH:12][N+:22]3=[C:17]([CH:9]=[C:13]2[CH:5]=[CH:6]1)[C:15]1=[CH:11][C:20]([O:25][CH3:3])=[C:19]([O:24][CH3:2])[CH:10]=[C:14]1[CH2:7][CH2:8]3

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:16096 chebi:16096 QUCQEUCGKKTEBI-UHFFFAOYSA-N	palmatine 2,3,9,10-tetramethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium 7,8,13,13a-tetrahydro-2,3,9,10-tetramethoxyberbinium O,O-dimethyldemethyleneberberine Palmatine berbericinine
vmhM:pmtn vmhmetabolite:pmtn QUCQEUCGKKTEBI-UHFFFAOYSA-N	Palmatine
sabiork.compound:7845 sabiorkM:7845 kegg.compound:C05315 keggC:C05315 QUCQEUCGKKTEBI-UHFFFAOYSA-N	Palmatine 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium
seed.compound:cpd03153 seedM:cpd03153 QUCQEUCGKKTEBI-UHFFFAOYSA-N	Palmatine 5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium 5,6-dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium palmatine
metacyc.compound:PALMATINE metacycM:PALMATINE QUCQEUCGKKTEBI-UHFFFAOYSA-N	palmatine 2,3,9,10-tetramethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium 5,6-dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium 7,8,13,13a-tetrahydro-2,3,9,10-tetramethoxyberbinium O,O-dimethyldemethyleneberberine berbericinine
chebi:14728 chebi:25833 chebi:7895 keggC:M_C05315 seedM:M_cpd03153 vmhM:M_pmtn	secondary/obsolete/fantasy identifier