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CHEBI:31054 - 12-Deoxyaklanonic acid

ChEBI IDCHEBI:31054
ChEBI Name12-Deoxyaklanonic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILESCCC(=O)CC(=O)c1c(CC(=O)O)cc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C21H18O7/c1-2-13(22)9-15(24)18-12(8-16(25)26)7-11-6-10-4-3-5-14(23)17(10)20(27)19(11)21(18)28/h3-5,7,23,28H,2,6,8-9H2,1H3,(H,25,26)
InChIKeyGOOWFUBMXUJYPR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
12-Deoxyaklanonic acid (CHEBI:31054) is a anthracenes (CHEBI:46955)
Synonym  Source
12-Deoxyaklanonic acidKEGG COMPOUND
Manual XrefsDatabases
C12420KEGG COMPOUND