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isoquinolin-1(2H)-one

PropertiesImage
MNX_IDMNXM3625 Image of MNXM3625
referencechebi:18350
formulaC9H7NO
global charge0
mol weight145.161
InChIKeyVDBNYAPERZTOOF-UHFFFAOYSA-N
InChIInChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
SMILESO=C1NC=CC2=C1C=CC=C2
MNX internals
InChI (mnx)InChI=1/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11) Image of MNXM3625
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]2[C:7](=[CH:3]1)[CH:5]=[CH:6][N:10]=[C:9]2[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18350
chebi:18350
VDBNYAPERZTOOF-UHFFFAOYSA-N 		isoquinolin-1(2H)-one
1(2H)-Isoquinolinone
1(2H)-isoquinolinone
Isoquinolin-1(2H)-one

seed.compound:cpd03765
seedM:cpd03765
VDBNYAPERZTOOF-UHFFFAOYSA-N 		1(2H)-Isoquinolinone
Isocarbostyril
Isoquinolin-1(2H)-one
isoquinolin-2(1H)-one
hmdb:HMDB0243900
VDBNYAPERZTOOF-UHFFFAOYSA-N 		1-Hydroxyisoquinoline
1(2H)-Isoquinolinone
1,2-dihydroisoquinolin-1-one
Isocarbostyril
Isoquinolin-1(2H)-one
isocarbostyril

kegg.compound:C06324
keggC:C06324
VDBNYAPERZTOOF-UHFFFAOYSA-N 		Isocarbostyril
1(2H)-Isoquinolinone
Isoquinolin-1(2H)-one

metacyc.compound:ISOQUINOLIN-12H-ONE
metacycM:ISOQUINOLIN-12H-ONE
VDBNYAPERZTOOF-UHFFFAOYSA-N 		isoquinolin-2(1H)-one

chebi:14478
chebi:18848
chebi:471
keggC:M_C06324
seedM:M_cpd03765 		secondary/obsolete/fantasy identifier