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

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stattic

	Properties	Image
MNX_ID	MNXM161289
reference	chebi:86989
formula	C₈H₅NO₄S
global charge	0
mol weight	211.198
InChIKey	ZRRGOUHITGRLBA-UHFFFAOYSA-N
InChI	InChI=1S/C8H5NO4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H
SMILES	O=[N+]([O-])C1=CC=C2C=CS(=O)(=O)C2=C1

MNX internals

InChI (mnx)	InChI=1/C8H5NO4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H
SMILES (mnx)	[CH:1]1=[CH:2][C:7]([N+:9]([O-:10])=[O:11])=[CH:5][C:8]2=[C:6]1[CH:3]=[CH:4][S:14]2(=[O:12])=[O:13]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:86989 chebi:86989 ZRRGOUHITGRLBA-UHFFFAOYSA-N	stattic 6-nitro-1-benzothiophene 1,1-dioxide 6-nitro-1H-1-benzothiophene-1,1-dione CHEMBL1337170 STAT3 Inhibitor V
hmdb:HMDB0258488 ZRRGOUHITGRLBA-UHFFFAOYSA-N	Stattic 6-Nitro-1-benzothiophene 1,1-dioxide 6-nitro-1lambda6-benzothiophene-1,1-dione CHEMBL1337170 STAT3 inhibitor V