Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	48349
Common Name:	Murrayanine
Systematic Name:	1-methoxy-9H-carbazole-3-carbaldehyde
RefMet Name:	Murrayanine
Synonyms:	[PubChem Synonyms]
Exact Mass:	225.0790 (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:	C14H11NO2
InChIKey:	FWNZQNAJETXQPP-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Indoles and derivatives [C0000211]
ClassyFire subclass:	Carbazoles [C0000210]
ClassyFire direct parent:	Carbazoles [C0000210]
SMILES:	COc1cc(cc2c3ccccc3[nH]c12)C=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	96942
CHEBI ID:	69934
HMDB ID:	HMDB0038849
KEGG ID:	C09228
Chemspider ID:	87533
Plant Metabolite Hub(Pmhub):	MS000020553

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