Metabolomics Structure Database
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MW REGNO: | 78556 |
Common Name: | Dihydroconiferyl aldehyde |
Systematic Name: | 3-(4-hydroxy-3-methoxy-phenyl)propanal |
RefMet Name: | Dihydroconiferyl aldehyde |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C10H12O3 |
InChIKey: | KIEATOGEYUWTSR-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Phenols [C0000134] |
ClassyFire subclass: | Methoxyphenols [C0000190] |
SMILES: | COc1cc(CCC=O)ccc1O |
Studies: | Available studies (via RefMet name) |
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Calculated physicochemical properties:
No data available
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