Metabolomics Structure Database

 
MW REGNO: 52742
Common Name:7,12-dimethyltetraphene
Systematic Name:7,12-dimethylbenzo[a]anthracene
Synonyms:1,4-Dimethyl-2,3-benzphenanthrene; 6,7-Dimethyl-1,2-benzanthracene; 7,12-DMBA; 7,12-Dimethyl-1,2-benzanthracene; 7,12-Dimethyl-1:2-benz(a)anthracene; 7,12-Dimethylbenz(a)anthracene; 7,12-Dimethylbenzanthracene; 7,12-Dimethylbenzanthrancene; 9,10-Dimethyl-1,2-benzanthracene; 9,10-Dimethyl-1,2-benzanthrazen; 9,10-Dimethylbenz(a)anthracene [PubChem Synonyms]
Exact Mass:
256.1252 (neutral)    Calculate m/z:
Formula:C20H16
InChIKey:ARSRBNBHOADGJU-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Phenanthrenes and derivatives [C0000025]
ClassyFire subclass:Phenanthrenes and derivatives [C0000025]
ClassyFire direct parent:Aromatic homopolycyclic compounds
SMILES:Cc1c2ccccc2c(C)c2c1ccc1ccccc21
Studies:-

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External database links:

PubChem CID:6001
CHEBI ID:254496
HMDB ID:HMDB0062429
Plant Metabolite Hub(Pmhub):MS000027217

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

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