N6-[(5-nitro-2-thienyl)methylidene]-2,3-dihydro-1,4-benzodioxin-6-amine (CHEBI:170019)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N6-[(5-nitro-2-thienyl)methylidene]-2,3-dihydro-1,4-benzodioxin-6-amine

ChEBI ID	CHEBI:170019

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H10N2O4S

Net Charge

Average Mass

290.290

Monoisotopic Mass

290.03613

InChI

InChI=1S/C13H10N2O4S/c16-15(17)13-4-2-10(20-13)8-14-9-1-3-11-12(7-9)19-6-5-18-11/h1-4,7-8H,5-6H2/b14-8+

InChIKey

XKHKGFIQEGZYJP-RIYZIHGNSA-N

SMILES

S1C(\C=N\C2=CC=3OCCOC3C=C2)=CC=C1[N+]([O-])=O

Metabolite of Species	Details
Culture Media	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830] See: MetaboLights Study
Pseudomonas aeruginosa/Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Staphylococcus aureus (NCBI:txid1280)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain [] See: MetaboLights Study
Pseudomonas aeruginosa (NCBI:txid287)	Found in Culture media, conditioned (D017077). of strain Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963] See: MetaboLights Study

ChEBI Ontology
Outgoing	N6-[(5-nitro-2-thienyl)methylidene]-2,3-dihydro-1,4-benzodioxin-6-amine (CHEBI:170019) is a benzodioxine (CHEBI:64096)

IUPAC Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-nitrothiophen-2-yl)methanimine