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

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3-isopropylcatechol

	Properties	Image
MNX_ID	MNXM36571
reference	chebi:28708
formula	C₉H₁₂O₂
global charge	0
mol weight	152.193
InChIKey	XLZHGKDRKSKCAU-UHFFFAOYSA-N
InChI	InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3
SMILES	CC(C)C1=C(O)C(O)=CC=C1

MNX internals

InChI (mnx)	InChI=1/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3
SMILES (mnx)	[CH3:1][CH:6]([CH3:2])[C:7]1=[C:9]([OH:11])[C:8]([OH:10])=[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:28708 chebi:28708 XLZHGKDRKSKCAU-UHFFFAOYSA-N	3-isopropylcatechol 1,2-dihydroxy-3-isopropyl benzene 3-(1-methylethyl)-1,2-benzenediol 3-isopropylbenzene-1,2-diol 3-isopropylpyrocatechol
kegg.compound:C01014 keggC:C01014 XLZHGKDRKSKCAU-UHFFFAOYSA-N	3-Isopropylcatechol
seed.compound:cpd00746 seedM:cpd00746 XLZHGKDRKSKCAU-UHFFFAOYSA-N	3-Isopropylcatechol 3-(1-methylethyl)-1,2-benzenediol 3-isopropyl-, 1,2-benzenediol, 3-(1-methylethyl)- 3-isopropylbenzene-1,2-diol 3-isopropylcatechol 3-isopropylpyrocatechol pyrocatechol
metacyc.compound:CPD-14151 metacycM:CPD-14151 XLZHGKDRKSKCAU-UHFFFAOYSA-N	3-isopropylcatechol 3-(1-methylethyl)-1,2-benzenediol 3-isopropyl-, 1,2-benzenediol, 3-(1-methylethyl)- 3-isopropylbenzene-1,2-diol 3-isopropylpyrocatechol pyrocatechol
envipath:...d14e16f859e2 envipathM:...d14e16f859e2 XLZHGKDRKSKCAU-UHFFFAOYSA-N	compound 0283258
chebi:1564 chebi:20093 keggC:M_C01014 seedM:M_cpd00746	secondary/obsolete/fantasy identifier