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

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Balsoxine

	Properties	Image
MNX_ID	MNXM43292
reference	chebi:2989
formula	C₁₇H₁₅NO₃
global charge	0
mol weight	281.311
InChIKey	VABIMQUXFWWAPI-UHFFFAOYSA-N
InChI	InChI=1S/C17H15NO3/c1-19-14-9-8-13(10-15(14)20-2)16-11-18-17(21-16)12-6-4-3-5-7-12/h3-11H,1-2H3
SMILES	COC1=C(OC)C=C(C2=CN=C(C3=CC=CC=C3)O2)C=C1

MNX internals

InChI (mnx)	InChI=1/C17H15NO3/c1-19-14-9-8-13(10-15(14)20-2)16-11-18-17(21-16)12-6-4-3-5-7-12/h3-11H,1-2H3
SMILES (mnx)	[CH3:1][O:19][C:14]1=[C:15]([O:20][CH3:2])[CH:10]=[C:13]([C:16]2=[CH:11][N:18]=[C:17]([C:12]3=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]3)[O:21]2)[CH:8]=[CH:9]1

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:2989 chebi:2989 VABIMQUXFWWAPI-UHFFFAOYSA-N	Balsoxine
seed.compound:cpd07458 seedM:cpd07458 kegg.compound:C10572 keggC:C10572 VABIMQUXFWWAPI-UHFFFAOYSA-N	Balsoxine 2-Phenyl-5-(3,4-dimethoxyphenyl)oxazole
keggC:M_C10572 seedM:M_cpd07458	secondary/obsolete/fantasy identifier