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

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1,2-dihydroxydibenzothiophene

	Properties	Image
MNX_ID	MNXM4218
reference	chebi:17212
formula	C₁₂H₈O₂S
global charge	0
mol weight	216.261
InChIKey	VKHFOUIAKVUCEF-UHFFFAOYSA-N
InChI	InChI=1S/C12H8O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,13-14H
SMILES	OC1=CC=C2SC3=C(C=CC=C3)C2=C1O

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17212 chebi:17212 VKHFOUIAKVUCEF-UHFFFAOYSA-N	1,2-dihydroxydibenzothiophene 1,2-Dihydroxydibenzothiophene dibenzo[b,d]thiophene-1,2-diol dibenzothiophene-1,2-diol
envipath:...fb2b4754def1 envipathM:...fb2b4754def1 kegg.compound:C06722 keggC:C06722 VKHFOUIAKVUCEF-UHFFFAOYSA-N	1,2-Dihydroxydibenzothiophene
seed.compound:cpd04110 seedM:cpd04110 VKHFOUIAKVUCEF-UHFFFAOYSA-N	1,2-Dihydroxydibenzothiophene 1,2-dihydroxydibenzothiophene
metacyc.compound:12-DIHYDROXYDIBENZOTHIOPHENE metacycM:12-DIHYDROXYDIBENZOTHIOPHENE VKHFOUIAKVUCEF-UHFFFAOYSA-N	1,2-dihydroxydibenzothiophene
envipath:...ddbf521a3671 envipathM:...ddbf521a3671 VKHFOUIAKVUCEF-UHFFFAOYSA-N	compound 0043826
chebi:11157 chebi:18893 chebi:505 keggC:M_C06722 seedM:M_cpd04110	secondary/obsolete/fantasy identifier