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

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Sinalbin B

	Properties	Image
MNX_ID	MNXM130648
reference	chebi:187032
formula	C₁₂H₁₂N₂OS₂
global charge	0
mol weight	264.375
InChIKey	JCYHQSOLTRRNNC-UHFFFAOYSA-N
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
SMILES	CON1C2=C(C=CC=C2)C2=C1SC(SC)=NC2

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH3:1][O:15][N:14]1[C:10]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:8]2[C:9]2=[C:11]1[S:17][C:12]([S:16][CH3:2])=[N:13][CH2:7]2

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:187032 chebi:187032 JCYHQSOLTRRNNC-UHFFFAOYSA-N	Sinalbin B 9-methoxy-2-methylsulanyl-4H-[1,3]thiazino[6,5-b]indole
hmdb:HMDB0036649 JCYHQSOLTRRNNC-UHFFFAOYSA-N	Sinalbin B 9-Methoxy-2-(methylsulphanyl)-4H,9H-[1,3]thiazino[6,5-b]indole 9-methoxy-2-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indole 9-methoxy-2-(methylsulfanyl)-4H-[1,3]thiazino[6,5-b]indole Sinalbin b
hmdb:HMDB36649	secondary/obsolete/fantasy identifier