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CHEBI:199165 - CA-phytotoxin

ChEBI IDCHEBI:199165
ChEBI NameCA-phytotoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H46O8
Net Charge0
Average Mass486.646
Monoisotopic Mass486.31927
SMILESCCCCCCC(O)/C=C/CCCCCC/C=C/CCC(=O)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C26H46O8/c1-2-3-4-13-16-20(28)17-14-11-9-7-5-6-8-10-12-15-18-22(29)34-26-25(32)24(31)23(30)21(19-27)33-26/h10,12,14,17,20-21,23-28,30-32H,2-9,11,13,15-16,18-19H2,1H3/b12-10+,17-14+
InChIKeyIQKISTNYFDXAGD-XSJNGTIOSA-N
Species of MetaboliteComponentSourceComments
Curvularia andropogonis (ncbitaxon:1917186) - DOI (10.1016/s0168-9452(96)04571-2)
ChEBI Ontology
Outgoing Relation(s)
CA-phytotoxin (CHEBI:199165) is a icosanoid (CHEBI:23899)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4E,12E)-14-hydroxyicosa-4,12-dienoate
Manual XrefsDatabases
78444513ChemSpider