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

Feedback

dibenzothiophene 5,5-dioxide

	Properties	Image
MNX_ID	MNXM11362
reference	chebi:90356
formula	C₁₂H₈O₂S
global charge	0
mol weight	216.261
InChIKey	IKJFYINYNJYDTA-UHFFFAOYSA-N
InChI	InChI=1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
SMILES	O=S1(=O)C2=CC=CC=C2C2=CC=CC=C21

MNX internals

InChI (mnx)	InChI=1/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:11]2[C:9](=[CH:5]1)[C:10]1=[CH:6][CH:2]=[CH:4][CH:8]=[C:12]1[S:15]2(=[O:13])=[O:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:90356 chebi:90356 IKJFYINYNJYDTA-UHFFFAOYSA-N	dibenzothiophene 5,5-dioxide DBTO2 dibenzo[b,d]thiophene 5,5-dioxide dibenzothiophene S,S-dioxide dibenzothiophene dioxide dibenzothiophene sulfone diphenylene sulfone
seed.compound:cpd25688 seedM:cpd25688 IKJFYINYNJYDTA-UHFFFAOYSA-N	DBTO2 DBT-sulfone dibenzothiophene dioxide dibenzothiophene sulfone dibenzothiophene-5,5-dioxide
envipath:...7abe0878474e envipathM:...7abe0878474e IKJFYINYNJYDTA-UHFFFAOYSA-N	Dibenzothiophene-5,5-dioxide
kegg.compound:C21150 keggC:C21150 IKJFYINYNJYDTA-UHFFFAOYSA-N	Dibenzothiophene-5,5-dioxide Dibenzothiophene sulfone
metacyc.compound:CPD-944 metacycM:CPD-944 IKJFYINYNJYDTA-UHFFFAOYSA-N	dibenzothiophene-5,5-dioxide DBT-sulfone DBTO2 dibenzothiophene dioxide dibenzothiophene sulfone
chebi:23682 keggC:M_C21150 seedM:M_cpd25688	secondary/obsolete/fantasy identifier