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

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cis-1,2-dihydro-3-ethylcatechol

	Properties	Image
MNX_ID	MNXM3563
reference	chebi:16843
formula	C₈H₁₂O₂
global charge	0
mol weight	140.182
InChIKey	BACDCBUEYBFLFV-JGVFFNPUSA-N
InChI	InChI=1S/C8H12O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,7-10H,2H2,1H3/t7-,8+/m0/s1
SMILES	CCC1=CC=C[C@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C8H12O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,7-10H,2H2,1H3/t7-,8+/m0/s1
SMILES (mnx)	[CH3:1][CH2:2][C:6]1=[CH:4][CH:3]=[CH:5][C@H:7]([OH:9])[C@@H:8]1[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16843 chebi:16843 BACDCBUEYBFLFV-JGVFFNPUSA-N	cis-1,2-dihydro-3-ethylcatechol cis-1,2-Dihydro-3-ethylcatechol cis-2,3-Dihydroxy-2,3-dihydroethylbenzene cis-2,3-dihydroxy-2,3-dihydro-ethylbenzene cis-2,3-dihydroxy-2,3-dihydroethylbenzene cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol rel-(1R,2S)-3-ethylcyclohexa-3,5-diene-1,2-diol
metacyc.compound:CIS-12-DIHYDRO-3-ETHYLCATECHOL metacycM:CIS-12-DIHYDRO-3-ETHYLCATECHOL BACDCBUEYBFLFV-JGVFFNPUSA-N	(1S,2R)-3-ethylcyclohexa-3,5-diene-1,2-diol (+)-cis-1S,2R-dihydroxy-3-eethyl-cyclohexa-3,5-diene cis-1,2-dihydro-3-ethylcatechol cis-2,3-dihydroxy-2,3-dihydroethylbenzene cis-3-ethyl-cyclohexa-3,5-diene-1,2-diol
vmhM:cdhectcl vmhmetabolite:cdhectcl BACDCBUEYBFLFV-JGVFFNPUSA-N	cis-1,2-Dihydro-3-ethylcatechol
seed.compound:cpd04114 seedM:cpd04114 BACDCBUEYBFLFV-JGVFFNPUSA-N	cis-1,2-Dihydro-3-ethylcatechol cis-1,2-dihydro-3-ethylcatechol cis-2,3-Dihydroxy-2,3-dihydroethylbenzene cis-2,3-dihydroxy-2,3-dihydroethylbenzene cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol cis-3-ethyl-cyclohexa-3,5-diene-1,2-diol
kegg.compound:C06727 keggC:C06727 BACDCBUEYBFLFV-JGVFFNPUSA-N	cis-1,2-Dihydro-3-ethylcatechol cis-2,3-Dihydroxy-2,3-dihydroethylbenzene cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol
chebi:10456 chebi:12787 chebi:23263 keggC:M_C06727 seedM:M_cpd04114 vmhM:M_cdhectcl	secondary/obsolete/fantasy identifier