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

**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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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	COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2

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)	[CH2:1]1[c:2]2[c:3]([cH:11][c:13]3[c:14]([cH:12]2)[c:16]([CH2:20][NH3+:22])[c:19]([O:23][OH:24])[cH:17][cH:15]3)-[c:4]2[c:5]([cH:7][c:10]([CH2:18][CH3:21])[c:9]([O:25][OH:26])[cH:6]2)[CH2:8]1

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 vmhM:pmtn vmhmetabolite: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