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

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3-ethylcatechol

	Properties	Image
MNX_ID	MNXM3484
reference	chebi:16572
formula	C₈H₁₀O₂
global charge	0
mol weight	138.166
InChIKey	UUCQGNWZASKXNN-UHFFFAOYSA-N
InChI	InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3
SMILES	CCC1=C(O)C(O)=CC=C1

MNX internals

InChI (mnx)	InChI=1/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][C:6]1=[C:8]([OH:10])[C:7]([OH:9])=[CH:5][CH:3]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16572 chebi:16572 UUCQGNWZASKXNN-UHFFFAOYSA-N	3-ethylcatechol 2,3-Dihydroxyethylbenzene 2,3-dihydroxyethylbenzene 3-Ethyl-benzene-1,2-diol 3-Ethylcatechol 3-ethyl-benzene-1,2-diol 3-ethylbenzene-1,2-diol
envipath:...d11a3b875ca6 envipathM:...d11a3b875ca6 UUCQGNWZASKXNN-UHFFFAOYSA-N	2,3-Dihydroxyethylbenzene
hmdb:HMDB0040177 UUCQGNWZASKXNN-UHFFFAOYSA-N	3-Ethyl-1,2-benzenediol 2,3-Dihydroxyethylbenzene 3-Ethyl-benzene-1,2-diol 3-Ethyl-pyrocatechol 3-Ethylbenzene-1,2-diol 3-Ethylcatechol 3-Ethylpyrocatechol 3-ethylbenzene-1,2-diol 3-ethylcatechol Ethyl-benzenediol Ethylpyrocatechol
seed.compound:cpd04115 seedM:cpd04115 UUCQGNWZASKXNN-UHFFFAOYSA-N	3-Ethylcatechol 2,3-Dihydroxyethylbenzene 2,3-dihydroxyethylbenzene 3-Ethyl-benzene-1,2-diol 3-ethyl-benzene-1,2-diol 3-ethylcatechol
sabiork.compound:8872 sabiorkM:8872 kegg.compound:C06728 keggC:C06728 UUCQGNWZASKXNN-UHFFFAOYSA-N	3-Ethylcatechol 2,3-Dihydroxyethylbenzene 3-Ethyl-benzene-1,2-diol
metacyc.compound:3-ETHYLCATECHOL metacycM:3-ETHYLCATECHOL UUCQGNWZASKXNN-UHFFFAOYSA-N	3-ethylcatechol 2,3-dihydroxyethylbenzene 3-ethyl-benzene-1,2-diol
hmdb:HMDB40177 chebi:11794 chebi:1500 chebi:20015 keggC:M_C06728 seedM:M_cpd04115	secondary/obsolete/fantasy identifier