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CHEBI:204776 - Graphilide

ChEBI IDCHEBI:204776
ChEBI NameGraphilide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESO=C1C=CC(O)/C=C\C/C=C/CCC[C@@H](C(=O)O)O1
InChIInChI=1S/C14H18O5/c15-11-7-5-3-1-2-4-6-8-12(14(17)18)19-13(16)10-9-11/h1-2,5,7,9-12,15H,3-4,6,8H2,(H,17,18)/b2-1+,7-5-,10-9?/t11?,12-/m0/s1
InChIKeyJHXMICLCFPBALC-WDYKEJGFSA-N
Species of MetaboliteComponentSourceComments
Graphis vestitoides (ncbitaxon:996894) - PubMed (23257659)
ChEBI Ontology
Outgoing Relation(s)
Graphilide (CHEBI:204776) is a macrolide (CHEBI:25106)
IUPAC Name 
(2S,6E,9Z)-11-hydroxy-14-oxo-1-oxacyclotetradeca-6,9,12-triene-2-carboxylic acid