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CHEBI:212204 - Cochliobolic acid

ChEBI IDCHEBI:212204
ChEBI NameCochliobolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O6
Net Charge0
Average Mass426.509
Monoisotopic Mass426.20424
SMILESCCC(C)/C=C/C(=O)C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C1CC(O)C(C(=O)O)O1
InChIInChI=1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,17-16+
InChIKeyUWFRQOWLUPERFN-BXNBMOSESA-N
Species of MetaboliteComponentSourceComments
Curvularia lunata (ncbitaxon:5503) - PubMed (9014347)
ChEBI Ontology
Outgoing Relation(s)
Cochliobolic acid (CHEBI:212204) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl]oxolane-2-carboxylic acid
Manual XrefsDatabases
8246655ChemSpider