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

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ethylbenzene

	Properties	Image
MNX_ID	MNXM2120
reference	chebi:16101
formula	C₈H₁₀
global charge	0
mol weight	106.168
InChIKey	YNQLUTRBYVCPMQ-UHFFFAOYSA-N
InChI	InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
SMILES	CCC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][C:8]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16101 chebi:16101 YNQLUTRBYVCPMQ-UHFFFAOYSA-N	ethylbenzene Aethylbenzol Ethylbenzene Ethylbenzol Ethylenzene PHENYLETHANE Phenylethane alpha-methyltoluene
envipath:...57c5de57293c envipathM:...57c5de57293c YNQLUTRBYVCPMQ-UHFFFAOYSA-N	Ethylbenzene
hmdb:HMDB0059905 YNQLUTRBYVCPMQ-UHFFFAOYSA-N	Ethylbenzene 1-Ethylbenzene Aethylbenzol EB Ethylbenzol Ethylenzene Phenylethane a-Methyltoluene alpha-Methyltoluene alpha-methyltoluene ethylbenzene
kegg.compound:C07111 keggC:C07111 YNQLUTRBYVCPMQ-UHFFFAOYSA-N	Ethylbenzene Ethylbenzol Ethylenzene Phenylethane
vmhM:ebnzn vmhmetabolite:ebnzn YNQLUTRBYVCPMQ-UHFFFAOYSA-N	Ethylbenzene ethylbenzene
seed.compound:cpd04383 seedM:cpd04383 YNQLUTRBYVCPMQ-UHFFFAOYSA-N	Ethylenzene Ethylbenzene Ethylbenzol Phenylethane ethylbenzene
metacyc.compound:ETHYLBENZENE metacycM:ETHYLBENZENE YNQLUTRBYVCPMQ-UHFFFAOYSA-N	ethylbenzene
envipath:...ddae1712cdb2 envipathM:...ddae1712cdb2 YNQLUTRBYVCPMQ-UHFFFAOYSA-N	xylene ethylbenzene
hmdb:HMDB59905 chebi:14229 chebi:23999 chebi:45136 chebi:4898 keggC:M_C07111 seedM:M_cpd04383 vmhM:M_ebnzn	secondary/obsolete/fantasy identifier