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

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diphenyl ether

	Properties	Image
MNX_ID	MNXM51155
reference	chebi:39258
formula	C₁₂H₁₀O
global charge	0
mol weight	170.211
InChIKey	USIUVYZYUHIAEV-UHFFFAOYSA-N
InChI	InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
SMILES	C1=CC=C(OC2=CC=CC=C2)C=C1

MNX internals

InChI (mnx)	InChI=1/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:11]([O:13][C:12]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)[CH:8]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:39258 chebi:39258 USIUVYZYUHIAEV-UHFFFAOYSA-N	diphenyl ether 1,1'-oxybis(benzene) 1,1'-oxybisbenzene 1,1'-oxydibenzene Diphenylaether Diphenylether Diphenyloxid diphenyl oxide oxybisbenzene phenoxybenzene phenyl ether
envipath:...f4952cd314ae envipathM:...f4952cd314ae USIUVYZYUHIAEV-UHFFFAOYSA-N	Diphenyl ether
hmdb:HMDB0034446 USIUVYZYUHIAEV-UHFFFAOYSA-N	Diphenyl ether 1,1'-Oxybis(benzene) 1,1'-Oxybis-benzene 1,1'-Oxybisbenzene 1,1'-Oxybisbenzene, 9ci 1,1'-Oxydibenzene 1,1-Oxybisbenzene 2,2',3-Trihydroxydiphenylether Biphenyl oxide Chemcryl JK-eb Diphenyl oxide Diphenyl-ether Diphenylaether Diphenylether Diphenyloxid Ether, diphenyl FEMA 3667 Geranium crystals Oxybisbenzene Oxydiphenyl Phenoxy-benzene Phenoxybenzene Phenyl ether Phenyl ether (8ci) Phenyl ether, 8ci Phenyl ether, vapor Phenyl oxide diphenyl-ether phenoxybenzene
metacyc.compound:CPD-18739 metacycM:CPD-18739 seed.compound:cpd35030 seedM:cpd35030 USIUVYZYUHIAEV-UHFFFAOYSA-N	diphenyl ether
hmdb:HMDB34446 seedM:M_cpd35030	secondary/obsolete/fantasy identifier