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

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4-methylcatechol

	Properties	Image
MNX_ID	MNXM961
reference	chebi:17254
formula	C₇H₈O₂
global charge	0
mol weight	124.139
InChIKey	ZBCATMYQYDCTIZ-UHFFFAOYSA-N
InChI	InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
SMILES	CC1=CC(O)=C(O)C=C1

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17254 chebi:17254 ZBCATMYQYDCTIZ-UHFFFAOYSA-N	4-methylcatechol 1,2-Dihydroxy-4-methylbenzene 1,2-dihydroxy-4-methylbenzene 2-Hydroxy-4-methylphenol 3,4-Dihydroxytoluene 3,4-dihydroxytoluene 4-Methyl-1,2-benzenediol 4-Methyl-1,2-dihydroxybenzene 4-Methylcatechol 4-Methylpyrocatechol 4-methyl-1,2-benzenediol 4-methylbenzene-1,2-diol Homocatechol Homopyrocatechol Toluene-3,4-diol p-Methylcatechol p-Methylpyrocatechol
bigg.metabolite:4mcat biggM:4mcat envipath:...d2d72fc6e104 envipathM:...d2d72fc6e104 ZBCATMYQYDCTIZ-UHFFFAOYSA-N	4-Methylcatechol
hmdb:HMDB0000873 ZBCATMYQYDCTIZ-UHFFFAOYSA-N	4-Methylcatechol 1,2-Dihydroxy-4-methylbenzene 1-Methyl-3,4-dihydroxybenzene 2-Hydroxy-4-methylphenol 3,4-Dihydroxytoluene 4-Methyl-1,2-benzenediol 4-Methyl-1,2-dihydroxybenzene 4-Methyl-pyrocatechol 4-Methylcatehol 4-Methylpyrocatechol 4-Metylcatechol 4-methyl-1,2-benzenediol 4-methylbenzene-1,2-diol 5-Methylcatechol Homocatechol Homopyrocatechol Toluene-3,4-diol p-Methylcatechol p-Methylpyrocatechol
sabiork.compound:8874 sabiorkM:8874 kegg.compound:C06730 keggC:C06730 ZBCATMYQYDCTIZ-UHFFFAOYSA-N	4-Methylcatechol 1,2-Dihydroxy-4-methylbenzene 3,4-Dihydroxytoluene 4-Methyl-1,2-benzenediol
seed.compound:cpd04117 seedM:cpd04117 ZBCATMYQYDCTIZ-UHFFFAOYSA-N	4-Methylcatechol 1,2-Dihydroxy-4-methylbenzene 3,4-Dihydroxytoluene 4-Methyl-1,2-benzenediol 4-methylcatechol 4mcat
vmhM:4mcat vmhmetabolite:4mcat ZBCATMYQYDCTIZ-UHFFFAOYSA-N	4-Methylcatechol 4-methylbenzene-1,2-diol
metacyc.compound:4-METHYLCATECHOL metacycM:4-METHYLCATECHOL ZBCATMYQYDCTIZ-UHFFFAOYSA-N	4-methylcatechol
envipath:...a0b53e21c680 envipathM:...a0b53e21c680 ZBCATMYQYDCTIZ-UHFFFAOYSA-N	compound 0044825
hmdb:HMDB00873 chebi:12025 chebi:1897 chebi:20442 chebi:43962 biggM:M_4mcat keggC:M_C06730 seedM:M_cpd04117 vmhM:M_4mcat	secondary/obsolete/fantasy identifier