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

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dibenzothiophene

	Properties	Image
MNX_ID	MNXM17270
reference	chebi:23681
formula	C₁₂H₈S
global charge	0
mol weight	184.263
InChIKey	IYYZUPMFVPLQIF-UHFFFAOYSA-N
InChI	InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
SMILES	C1=CC=C2C(=C1)SC1=C2C=CC=C1

MNX internals

InChI (mnx)	InChI=1/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/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:13]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:23681 chebi:23681 IYYZUPMFVPLQIF-UHFFFAOYSA-N	dibenzothiophene 9-thiafluorene [1,1'-biphenyl]-2,2'-diyl sulfide alpha-thiafluorene dibenzo[b,d]thiophene diphenylene sulfide
envipath:...e0dd42d0fffa envipathM:...e0dd42d0fffa kegg.compound:C20125 keggC:C20125 IYYZUPMFVPLQIF-UHFFFAOYSA-N	Dibenzothiophene
kegg.drug:D03777 keggD:D03777 IYYZUPMFVPLQIF-UHFFFAOYSA-N	Dibenzothiophene (USAN)
hmdb:HMDB0251165 IYYZUPMFVPLQIF-UHFFFAOYSA-N	Dibenzothiophene 8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene 9-Thiafluorene Diphenylene sulfide Diphenylene sulphide [1,1'-Biphenyl]-2,2'-diyl sulfide [1,1'-Biphenyl]-2,2'-diyl sulphide a-Thiafluorene alpha-Thiafluorene alpha-thiafluorene dibenzothiophene
seed.compound:cpd21358 seedM:cpd21358 IYYZUPMFVPLQIF-UHFFFAOYSA-N	Dibenzothiophene DBT dibenzothiophene diphenylene sulfide
envipath:...102cb721e3c5 envipathM:...102cb721e3c5 IYYZUPMFVPLQIF-UHFFFAOYSA-N	compound 0043822
metacyc.compound:CPD-942 metacycM:CPD-942 IYYZUPMFVPLQIF-UHFFFAOYSA-N	dibenzothiophene DBT diphenylene sulfide
keggC:M_C20125 keggD:M_D03777 seedM:M_cpd21358	secondary/obsolete/fantasy identifier