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

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2'-hydroxybiphenyl-2-sulfinate

	Properties	Image
MNX_ID	MNXM3798
reference	chebi:18218
formula	C₁₂H₉O₃S
global charge	-1
mol weight	233.268
InChIKey	HPKSNFTYZHYEKV-UHFFFAOYSA-M
InChI	InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)/p-1
SMILES	O=S([O-])C1=CC=CC=C1C1=CC=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)
SMILES (mnx)	[CH:1]1=[CH:3][CH:7]=[C:11]([OH:13])[C:9]([C:10]2=[CH:6][CH:2]=[CH:4][CH:8]=[C:12]2[S:16]([OH:14])=[O:15])=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18218 chebi:18218 HPKSNFTYZHYEKV-UHFFFAOYSA-M	2'-hydroxybiphenyl-2-sulfinate 2'-hydroxy-[1,1'-biphenyl]-2-sulfinate
seed.compound:cpd04126 seedM:cpd04126 HPKSNFTYZHYEKV-UHFFFAOYSA-M	2'-Hydroxybiphenyl-2-sulfinate 2'-hydroxybiphenyl-2-sulfinate 2-(2-Hydroxyphenyl)benzenesulfinate 2-(2-hydroxyphenyl)benzenesulfinate HBPSi
kegg.compound:C06742 keggC:C06742 HPKSNFTYZHYEKV-UHFFFAOYSA-N	2'-Hydroxybiphenyl-2-sulfinate 2-(2-Hydroxyphenyl)benzenesulfinate
metacyc.compound:CPD-945 metacycM:CPD-945 HPKSNFTYZHYEKV-UHFFFAOYSA-M	2'-hydroxybiphenyl-2-sulfinate 2-(2-hydroxyphenyl)benzenesulfinate HBPSi
CHEBI:44576 chebi:44576 HPKSNFTYZHYEKV-UHFFFAOYSA-N	2'-hydroxybiphenyl-2-sulfinic acid 2'-Hydroxybiphenyl-2-sulfinate 2'-hydroxy-[1,1'-biphenyl]-2-sulfinic acid 2-(2-Hydroxyphenyl)benzenesulfinate
vmhM:hphebafn vmhmetabolite:hphebafn HPKSNFTYZHYEKV-UHFFFAOYSA-N	2-(2-Hydroxyphenyl)benzenesulfinate
envipath:...25539266d6f0 envipathM:...25539266d6f0 HPKSNFTYZHYEKV-UHFFFAOYSA-M	2`-Hydroxybiphenyl-2-sulfinate
chebi:11462 chebi:19409 chebi:44572 chebi:965 keggC:M_C06742 seedM:M_cpd04126 vmhM:M_hphebafn	secondary/obsolete/fantasy identifier