Metabolomics Structure Database
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MW REGNO: | 54985 |
Common Name: | 9-anthroic acid |
Systematic Name: | anthracene-9-carboxylic acid |
Synonyms: | 9-Anthroic acid; 9-anthracenecarboxylic acid; 9-carboxyanthracene; A9C; ANCA; Anthracene-9-carboxylic acid; anthracene-10-carboxylic acid [PubChem Synonyms] |
Exact Mass: | |
Formula: | C15H10O2 |
InChIKey: | XGWFJBFNAQHLEF-UHFFFAOYSA-N |
ClassyFire superclass: | Benzenoids [C0002448] |
ClassyFire class: | Anthracenes [C0000018] |
ClassyFire subclass: | Anthracenecarboxylic acids and derivatives [C0001911] |
ClassyFire direct parent: | Anthracenecarboxylic acids [C0002424] |
MoNA MS spectra: | View MS spectra |
SMILES: | c1ccc2c(c1)cc1ccccc1c2C(=O)O |
Studies: | - |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 2201 |
CHEBI ID: | 34507 |
HMDB ID: | HMDB0248461 |
Plant Metabolite Hub(Pmhub): | MS000007745 |
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