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

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2,2',3-trihydroxydiphenyl ether

	Properties	Image
MNX_ID	MNXM3435
reference	chebi:79174
formula	C₁₂H₈O₄
global charge	-2
mol weight	216.192
InChIKey	XEAZDMSYJLCYDK-UHFFFAOYSA-L
InChI	InChI=1S/C12H10O4/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15/h1-7,13-15H/p-2
SMILES	[O-]C1=CC=CC=C1OC1=C([O-])C(O)=CC=C1

MNX internals

InChI (mnx)	InChI=1/C12H10O4/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15/h1-7,13-15H
SMILES (mnx)	[CH:1]1=[CH:2][CH:6]=[C:10]([O:16][C:11]2=[CH:7][CH:3]=[CH:5][C:9]([OH:14])=[C:12]2[OH:15])[C:8]([OH:13])=[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:79174 chebi:79174 XEAZDMSYJLCYDK-UHFFFAOYSA-L	2,2',3-trihydroxydiphenyl ether 2,2',3-trihydroxydiphenyl ether dianion 2,2',3-trihydroxydiphenyl ether(2-) 2-hydroxy-6-(2-oxidophenoxy)phenolate
kegg.compound:C07733 keggC:C07733 XEAZDMSYJLCYDK-UHFFFAOYSA-N	2,2',3-Trihydroxydiphenylether
seed.compound:cpd04867 seedM:cpd04867 XEAZDMSYJLCYDK-UHFFFAOYSA-N	2,2',3-Trihydroxydiphenylether 2,2',3-THD-ether 2,2',3-trihydroxydiphenyl-ether
CHEBI:27381 chebi:27381 XEAZDMSYJLCYDK-UHFFFAOYSA-N	2,2',3-trihydroxydiphenyl ether 2,2',3-Trihydroxydiphenylether 2,3,2'-trihydroxydiphenyl ether 3-(2-hydroxyphenoxy)benzene-1,2-diol 3-(2-hydroxyphenoxy)catechol
metacyc.compound:CPD-923 metacycM:CPD-923 XEAZDMSYJLCYDK-UHFFFAOYSA-N	2,2',3-trihydroxydiphenyl-ether 2,2',3-THD-ether
vmhM:thdphee vmhmetabolite:thdphee XEAZDMSYJLCYDK-UHFFFAOYSA-N	2,2,3-Trihydroxydiphenylether
envipath:...1db83b475b19 envipathM:...1db83b475b19 XEAZDMSYJLCYDK-UHFFFAOYSA-N	2,2`,3-Trihydroxydiphenylether
chebi:19277 chebi:853 keggC:M_C07733 seedM:M_cpd04867 vmhM:M_thdphee	secondary/obsolete/fantasy identifier