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

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5,6-dihydroxy-3-methyl-5,6-dihydroquinolin-2(1H)-one

	Properties	Image
MNX_ID	MNXM3501
reference	chebi:17143
formula	C₁₀H₁₁NO₃
global charge	0
mol weight	193.202
InChIKey	SQVOTYNRTIAIBT-UHFFFAOYSA-N
InChI	InChI=1S/C10H11NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,8-9,12-13H,1H3,(H,11,14)
SMILES	CC1=CC2=C(C=CC(O)C2O)NC1=O

MNX internals

InChI (mnx)	InChI=1/C10H11NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,8-9,12-13H,1H3,(H,11,14)/t8?,9?
SMILES (mnx)	[CH3:1][C:5]1=[CH:4][C:6]2=[C:7]([CH:2]=[CH:3][CH:8]([OH:12])[CH:9]2[OH:13])[N:11]=[C:10]1[OH:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17143 chebi:17143 SQVOTYNRTIAIBT-UHFFFAOYSA-N	5,6-dihydroxy-3-methyl-5,6-dihydroquinolin-2(1H)-one 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline
kegg.compound:C06726 keggC:C06726 SQVOTYNRTIAIBT-UHFFFAOYSA-N	5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline
seed.compound:cpd04113 seedM:cpd04113 SQVOTYNRTIAIBT-UHFFFAOYSA-N	5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline 5,6-dihydrodiol-3-methyl-2-oxo-1,2-dihydroquinoline 5,6-dihydroxy-3-methyl-1,5,6-trihydroquinolin-2-one 5,6-dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline
metacyc.compound:CPD-981 metacycM:CPD-981 SQVOTYNRTIAIBT-UHFFFAOYSA-N	5,6-dihydrodiol-3-methyl-2-oxo-1,2-dihydroquinoline 5,6-dihydroxy-3-methyl-1,5,6-trihydroquinolin-2-one 5,6-dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline
chebi:12079 chebi:2000 chebi:20509 chebi:20512 keggC:M_C06726 seedM:M_cpd04113	secondary/obsolete/fantasy identifier