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

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orcinol

	Properties	Image
MNX_ID	MNXM2145
reference	chebi:16536
formula	C₇H₈O₂
global charge	0
mol weight	124.139
InChIKey	OIPPWFOQEKKFEE-UHFFFAOYSA-N
InChI	InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
SMILES	CC1=CC(O)=CC(O)=C1

MNX internals

InChI (mnx)	InChI=1/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
SMILES (mnx)	[CH3:1][C:5]1=[CH:2][C:6]([OH:8])=[CH:4][C:7]([OH:9])=[CH:3]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16536 chebi:16536 OIPPWFOQEKKFEE-UHFFFAOYSA-N	orcinol 1,3-Dihydroxy-5-methylbenzene 3,5-Dihydroxytoluene 3,5-Toluenediol 3-Hydroxy-5-methylphenol 5-Methyl-1,3-benzenediol 5-Methyl-1,3-dihydroxybenzene 5-Methylresorcinol 5-methylbenzene-1,3-diol Orcin Orcinol
envipath:...2d888e62130b envipathM:...2d888e62130b vmhM:orcnl vmhmetabolite:orcnl OIPPWFOQEKKFEE-UHFFFAOYSA-N	Orcinol
seed.compound:cpd00543 seedM:cpd00543 OIPPWFOQEKKFEE-UHFFFAOYSA-N	Orcinol 3,5-Dihydroxytoluene 3,5-Toluenediol 3,5-dihydroxytoluene 3,5-toluenediol 5-Methyl-1,3-benzenediol 5-Methylresorcinol 5-methyl-1,3-benzenediol 5-methylresorcinol orcinol
kegg.compound:C00727 keggC:C00727 OIPPWFOQEKKFEE-UHFFFAOYSA-N	Orcinol 3,5-Dihydroxytoluene 3,5-Toluenediol 5-Methyl-1,3-benzenediol 5-Methylresorcinol
envipath:...b736ca263570 envipathM:...b736ca263570 OIPPWFOQEKKFEE-UHFFFAOYSA-N	compound 0047476
metacyc.compound:ORCINOL-CPD metacycM:ORCINOL-CPD OIPPWFOQEKKFEE-UHFFFAOYSA-N	orcinol 3,5-dihydroxytoluene 3,5-toluenediol 5-methyl-1,3-benzenediol 5-methylresorcinol
chebi:14697 chebi:25694 chebi:7780 keggC:M_C00727 seedM:M_cpd00543 vmhM:M_orcnl	secondary/obsolete/fantasy identifier