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

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4-methylphenol

	Properties	Image
MNX_ID	MNXM828
reference	chebi:17847
formula	C₇H₈O
global charge	0
mol weight	108.14
InChIKey	IWDCLRJOBJJRNH-UHFFFAOYSA-N
InChI	InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
SMILES	CC1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
SMILES (mnx)	[CH3:1][C:6]1=[CH:3][CH:5]=[C:7]([OH:8])[CH:4]=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	41
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17847 chebi:17847 IWDCLRJOBJJRNH-UHFFFAOYSA-N	4-methylphenol 1-hydroxy-4-methylbenzene 4-Cresol 4-Hydroxytoluene 4-Methylphenol P-CRESOL p-Cresol p-Kresol p-cresol p-methylphenol p-tolyl alcohol paracresol
kegg.compound:C01468 keggC:C01468 IWDCLRJOBJJRNH-UHFFFAOYSA-N	4-Cresol 4-Hydroxytoluene 4-Methylphenol p-Cresol
sabiork.compound:5602 sabiorkM:5602 IWDCLRJOBJJRNH-UHFFFAOYSA-N	4-Cresol 4-Hydroxytoluene p-Cresol
envipath:...6b42cd0dc97f envipathM:...6b42cd0dc97f IWDCLRJOBJJRNH-UHFFFAOYSA-N	4-Hydroxytoluene
sabiork.compound:25097 sabiorkM:25097 IWDCLRJOBJJRNH-UHFFFAOYSA-N	4-Methylphenol
metacyc.compound:CPD-108 metacycM:CPD-108 IWDCLRJOBJJRNH-UHFFFAOYSA-N	4-methylphenol 4-cresol 4-hydroxytoluene p-cresol p-hydroxytoluene
bigg.metabolite:4crsol biggM:4crsol bigg.metabolite:pcresol biggM:pcresol IWDCLRJOBJJRNH-UHFFFAOYSA-M	P-Cresol
envipath:...a1b97168c3cf envipathM:...a1b97168c3cf IWDCLRJOBJJRNH-UHFFFAOYSA-N	compound 0044817
hmdb:HMDB0001858 IWDCLRJOBJJRNH-UHFFFAOYSA-N	p-Cresol 1-Hydroxy-4-methylbenzene 1-Methyl-4-hydroxybenzene 4-(Pentafluorosulfanyl)phenol 4-Cresol 4-Cresol, aluminum salt 4-Cresol, potassium salt 4-Cresol, sodium salt 4-Hydroxytoluene 4-Methyl phenol 4-Methyl-phenol 4-Methylphenol 4-methylphenol P-Cresylate P-Cresylic acid P-Hydroxytoluene P-Methyl phenol P-Methylhydroxybenzene P-Oxytoluene P-Toluol P-cresol Para-cresol Paracresol Paramethyl phenol m-Cresol p-Kresol p-Methylphenol p-Tolyl alcohol
seed.compound:cpd01042 seedM:cpd01042 IWDCLRJOBJJRNH-UHFFFAOYSA-N	p-Cresol 4-Cresol 4-Hydroxytoluene 4-Methylphenol 4-cresol 4-hydroxytoluene 4-methylphenol p-cresol p-hydroxytoluene
vmhM:pcresol vmhmetabolite:pcresol IWDCLRJOBJJRNH-UHFFFAOYSA-M	p-Cresol 4-methylphenol
hmdb:HMDB0013762 hmdb:HMDB01858 hmdb:HMDB13762 chebi:11981 chebi:1816 chebi:20352 chebi:44726 biggM:M_4crsol biggM:M_pcresol keggC:M_C01468 seedM:M_cpd01042 vmhM:M_pcresol	secondary/obsolete/fantasy identifier