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

Feedback

menadiol

	Properties	Image
MNX_ID	MNXM3658
reference	chebi:6746
formula	C₁₁H₁₀O₂
global charge	0
mol weight	174.199
InChIKey	ZJTLZYDQJHKRMQ-UHFFFAOYSA-N
InChI	InChI=1S/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
SMILES	CC1=CC(O)=C2C=CC=CC2=C1O

MNX internals

InChI (mnx)	InChI=1/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
SMILES (mnx)	[CH3:1][C:7]1=[C:11]([OH:13])[C:9]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:8]2[C:10]([OH:12])=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:6746 chebi:6746 ZJTLZYDQJHKRMQ-UHFFFAOYSA-N	menadiol 2-Methyl-1,4-naphthohydroquinone 2-Methyl-1,4-naphthoquinol 2-Methylhydronaphthoquinone 2-Methylnaphthalene-1,4-diol 2-methylnaphthalene-1,4-diol Dihydrovitamin K3 Methylnaphthohydroquinone Reduced menadione Reduced vitamin K3 Vitamin K3H2
sabiork.compound:9242 sabiorkM:9242 kegg.compound:C07126 keggC:C07126 ZJTLZYDQJHKRMQ-UHFFFAOYSA-N	Menadiol
kegg.drug:D08175 keggD:D08175 ZJTLZYDQJHKRMQ-UHFFFAOYSA-N	Menadiol (BAN)
seed.compound:cpd04395 seedM:cpd04395 ZJTLZYDQJHKRMQ-UHFFFAOYSA-N	Menadiol menadiol
metacyc.compound:MENADIOL metacycM:MENADIOL ZJTLZYDQJHKRMQ-UHFFFAOYSA-N	menadiol 2-methyl-1,4-naphthohydroquinone 2-methylhydronaphthoquinone 2-methylnaphthalene-1,4-diol
keggC:M_C07126 keggD:M_D08175 seedM:M_cpd04395	secondary/obsolete/fantasy identifier