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CHEBI:205823 - Pestalotioprolide E

ChEBI IDCHEBI:205823
ChEBI NamePestalotioprolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESC[C@H]1CCC[C@@H](O)/C=C/C=C\[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C14H20O4/c1-11-5-4-8-12(15)6-2-3-7-13(16)9-10-14(17)18-11/h2-3,6-7,9-13,15-16H,4-5,8H2,1H3/b6-2+,7-3-,10-9+/t11-,12-,13-/m0/s1
InChIKeyVQQVCJCMQFXIEN-OPTSKOLRSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis microspora (ncbitaxon:85828) - PubMed (27556865)
ChEBI Ontology
Outgoing Relation(s)
Pestalotioprolide E (CHEBI:205823) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5S,6Z,8E,10R,14S)-5,10-dihydroxy-14-methyl-1-oxacyclotetradeca-3,6,8-trien-2-one
Manual XrefsDatabases
58197307ChemSpider