Metabolomics Structure Database
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MW REGNO: | 46265 |
Common Name: | Anacardic acid |
Systematic Name: | 2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzoic acid |
RefMet Name: | Anacardic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C22H32O3 |
InChIKey: | KAOMOVYHGLSFHQ-UTOQUPLUSA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Benzene and substituted derivatives [C0002279] |
ClassyFire subclass: | Benzoic acids and derivatives [C0000176] |
ClassyFire direct parent: | Salicylic acids [C0002514] |
SMILES: | CCC/C=CC/C=CCCCCCCCc1cccc(c1C(=O)O)O |
Studies: | Available studies (via RefMet name) |
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External database links:
PubChem CID: | 11824131 |
LIPID MAPS ID: | LMPK15040009 |
CHEBI ID: | 2696 |
HMDB ID: | HMDB0033896 |
Chemspider ID: | 9998782 |
Plant Metabolite Hub(Pmhub): | MS000094496 |
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