Metabolomics Structure Database

 
MW REGNO: 37506
Common Name:trans-Cinnamic acid
Systematic Name:(2E)-3-phenylprop-2-enoic acid
RefMet Name:trans-Cinnamic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
148.0524 (neutral)    Calculate m/z:
Formula:C9H8O2
InChIKey:WBYWAXJHAXSJNI-VOTSOKGWSA-N
ClassyFire superclass:Phenylpropanoids and polyketides [C0000261]
ClassyFire class:Cinnamic acids and derivatives [C0000476]
ClassyFire subclass:Cinnamic acids [C0002504]
ClassyFire direct parent:Cinnamic acids [C0002504]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:OC(=O)/C=C/c1ccccc1
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:444539
CHEBI ID:35697
HMDB ID:HMDB0000930
KEGG ID:C00423
Chemspider ID:392447
METLIN ID:5880
BMRB ID:bmse000124
NP-MRD ID(NMR):NP0001281

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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