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

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dihydrosanguinarine

	Properties	Image
MNX_ID	MNXM1821
reference	chebi:17209
formula	C₂₀H₁₅NO₄
global charge	0
mol weight	333.343
InChIKey	CIUHLXZTZWTVFL-UHFFFAOYSA-N
InChI	InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3
SMILES	CN1CC2=C(C=CC3=C2OCO3)C2=CC=C3C=C4OCOC4=CC3=C21

MNX internals

InChI (mnx)	InChI=1/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3
SMILES (mnx)	[CH3:1][N:21]1[CH2:8][C:15]2=[C:20]3[C:16](=[CH:5][CH:4]=[C:12]2[C:13]2=[C:19]1[C:14]1=[CH:7][C:18]4=[C:17]([CH:6]=[C:11]1[CH:2]=[CH:3]2)[O:23][CH2:9][O:24]4)[O:22][CH2:10][O:25]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17209 chebi:17209 CIUHLXZTZWTVFL-UHFFFAOYSA-N	dihydrosanguinarine 13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine 13,14-dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine 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 Dihydrosanguinarine dihydroavicine
vmhM:dhsngnrn vmhmetabolite:dhsngnrn CIUHLXZTZWTVFL-UHFFFAOYSA-N	Dihydrosanguinarine
seed.compound:cpd03087 seedM:cpd03087 CIUHLXZTZWTVFL-UHFFFAOYSA-N	Dihydrosanguinarine 13, 14-dihydro-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine 13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5- i]phenanthridine 13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine dihydrosanguinarine
kegg.compound:C05191 keggC:C05191 CIUHLXZTZWTVFL-UHFFFAOYSA-N	Dihydrosanguinarine 13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
metacyc.compound:DIHYDROSANGUINARINE metacycM:DIHYDROSANGUINARINE CIUHLXZTZWTVFL-UHFFFAOYSA-N	dihydrosanguinarine 13, 14-dihydro-13-methyl-[1, 3]benzodioxolo[5, 6-c]-1, 3-dioxolo[4, 5-i]phenanthridine
chebi:14161 chebi:23766 chebi:4584 keggC:M_C05191 seedM:M_cpd03087 vmhM:M_dhsngnrn	secondary/obsolete/fantasy identifier