Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	56798
Common Name:	5H-dibenzo[b,f]azepine
Systematic Name:	5H-dibenzo[b,f]azepine
RefMet Name:	5H-Dibenzo[b,f]azepine
Synonyms:	2,2'-iminostilbene; 2,3,6,7-dibenzazepine; 5H-Dibenz[b,f]azepin; 5H-dibenz[b,f]azepine; dibenz(b,f)azepine; iminostilbene; o,o'-iminostilbene [PubChem Synonyms]
Exact Mass:	193.0891 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C14H11N
InChIKey:	LCGTWRLJTMHIQZ-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Benzazepines [C0000293]
ClassyFire subclass:	Dibenzazepines [C0000320]
ClassyFire direct parent:	Dibenzazepines [C0000320]
MoNA MS spectra:	View MS spectra
SMILES:	c1ccc2c(c1)C=Cc1ccccc1N2
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	9212
CHEBI ID:	47802
HMDB ID:	HMDB0253433
Plant Metabolite Hub(Pmhub):	MS000000616

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y