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

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sampangine

	Properties	Image
MNX_ID	MNXM108689
reference	chebi:67606
formula	C₁₅H₈N₂O
global charge	0
mol weight	232.242
InChIKey	BWQKHOMAOVUASZ-UHFFFAOYSA-N
InChI	InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H
SMILES	O=C1C2=CC=CC=C2C2=C3C(=CC=N2)C=CN=C13

MNX internals

InChI (mnx)	InChI=1/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:11]2[C:10](=[CH:3]1)[C:13]1=[C:12]3[C:9](=[CH:5][CH:7]=[N:16]1)[CH:6]=[CH:8][N:17]=[C:14]3[C:15]2=[O:18]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67606 chebi:67606 BWQKHOMAOVUASZ-UHFFFAOYSA-N	sampangine 1,6-diaza-benzo[de]anthracen-7-one 7H-naphtho[1,2,3-ij][2,7]naphthyridin-7-one sampangin
hmdb:HMDB0034291 BWQKHOMAOVUASZ-UHFFFAOYSA-N	Sampangine 1,6-Diaza-benzo(de)anthracen-7-one 1,6-Diaza-benzo[de]anthracen-7-one 10,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one 7H-Naphtho[1,2,3,-ij][2,7]naphthyridin-7-one, 9ci
hmdb:HMDB34291	secondary/obsolete/fantasy identifier