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

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dihydromacarpine

	Properties	Image
MNX_ID	MNXM2368
reference	chebi:18029
formula	C₂₂H₁₉NO₆
global charge	0
mol weight	393.395
InChIKey	RTVFIUBAXAZKSU-UHFFFAOYSA-N
InChI	InChI=1S/C22H19NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-7H,8-10H2,1-3H3
SMILES	COC1=CC2=C(OCO2)C2=C1C1=CC(OC)=C3C=C4OCOC4=CC3=C1N(C)C2

MNX internals

InChI (mnx)	InChI=1/C22H19NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-7H,8-10H2,1-3H3
SMILES (mnx)	[CH3:1][N:23]1[CH2:8][C:14]2=[C:20]([C:13]3=[C:21]1[C:12]1=[CH:5][C:17]4=[C:16]([CH:4]=[C:11]1[C:15]([O:24][CH3:2])=[CH:6]3)[O:26][CH2:9][O:27]4)[C:18]([O:25][CH3:3])=[CH:7][C:19]1=[C:22]2[O:29][CH2:10][O:28]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18029 chebi:18029 RTVFIUBAXAZKSU-UHFFFAOYSA-N	dihydromacarpine 13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine 13,14-dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine 5,7-dimethoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine Dihydromacarpine
seed.compound:cpd03154 seedM:cpd03154 RTVFIUBAXAZKSU-UHFFFAOYSA-N	Dihydromacarpine 13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3- dioxolo[4,5-i]phenanthridine 13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine dihydromacarpine
kegg.compound:C05316 keggC:C05316 RTVFIUBAXAZKSU-UHFFFAOYSA-N	Dihydromacarpine 13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
metacyc.compound:DIHYDROMACARPINE metacycM:DIHYDROMACARPINE RTVFIUBAXAZKSU-UHFFFAOYSA-N	dihydromacarpine
chebi:14156 chebi:23753 chebi:4571 keggC:M_C05316 seedM:M_cpd03154	secondary/obsolete/fantasy identifier