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toluene

PropertiesImage
MNX_IDMNXM889 Image of MNXM889
referencechebi:17578
formulaC7H8
global charge0
mol weight92.141
InChIKeyYXFVVABEGXRONW-UHFFFAOYSA-N
InChIInChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
SMILESCC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 Image of MNXM889
SMILES (mnx)[CH3:1][C:7]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)22
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17578
chebi:17578
YXFVVABEGXRONW-UHFFFAOYSA-N 		toluene
TOLUENE
Toluen
Toluene
Toluol
methylbenzene
phenylmethane

bigg.metabolite:tol
biggM:tol
envipath:...394c9c524dcf
envipathM:...394c9c524dcf
YXFVVABEGXRONW-UHFFFAOYSA-N 		Toluene
hmdb:HMDB0034168
YXFVVABEGXRONW-UHFFFAOYSA-N 		Toluene
Methyl-benzene
Methylbenzene
Methylbenzene, 9ci
Methylbenzol
Monomethyl benzene
Phenyl-methane
Phenylmethane
Toluen
Toluol
toluene

sabiork.compound:5591
sabiorkM:5591
kegg.compound:C01455
keggC:C01455
YXFVVABEGXRONW-UHFFFAOYSA-N 		Toluene
Methylbenzene
Toluol

vmhM:tln
vmhmetabolite:tln
YXFVVABEGXRONW-UHFFFAOYSA-N 		Toluene
toluene

seed.compound:cpd01034
seedM:cpd01034
YXFVVABEGXRONW-UHFFFAOYSA-N 		Toluol
Methylbenzene
Toluene
antisal 1a
methacide
methylbenzene
methylbenzol
monomethyl benzene
phenyl methane
tol
tolu-sol
toluene
toluol

envipath:...911b7d10dee5
envipathM:...911b7d10dee5
YXFVVABEGXRONW-UHFFFAOYSA-N 		toluene

CHEBI:193048
chebi:193048
YXFVVABEGXRONW-UHFFFAOYSA-N 		toluene-d8
1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene
octadeuterotoluene
perdeuterated toluene
perdeuteriotoluene

metacyc.compound:TOLUENE
metacycM:TOLUENE
YXFVVABEGXRONW-UHFFFAOYSA-N 		toluene
antisal 1a
methacide
methylbenzene
monomethyl benzene
phenyl methane
tolu-sol
toluol

hmdb:HMDB34168
chebi:15248
chebi:27022
chebi:44023
chebi:9624
biggM:M_tol
keggC:M_C01455
seedM:M_cpd01034
vmhM:M_tln 		secondary/obsolete/fantasy identifier