Sinalbin B (CHEBI:187032)

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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	Sinalbin B

ChEBI ID	CHEBI:187032

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12N2OS2

Net Charge

Average Mass

264.360

Monoisotopic Mass

264.03911

InChI

InChI=1S/C12H12N2OS2/c1-15-14-10-6-4-3-5-8(10)9-7-13-12(16-2)17-11(9)14/h3-6H,7H2,1-2H3

InChIKey

JCYHQSOLTRRNNC-UHFFFAOYSA-N

SMILES

S1C=2N(OC)C=3C(C2CN=C1SC)=CC=CC3

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Sinalbin B (CHEBI:187032) is a indoles (CHEBI:24828)

IUPAC Name

9-methoxy-2-methylsulanyl-4H-[1,3]thiazino[6,5-b]indole