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CHEBI:219671 - Pestalotiopyrolide A

ChEBI IDCHEBI:219671
ChEBI NamePestalotiopyrolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O6
Net Charge0
Average Mass286.324
Monoisotopic Mass286.14164
SMILESC[C@H]1CCC/C=C\[C@H](O)C(O)C(O)[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C14H22O6/c1-9-5-3-2-4-6-10(15)13(18)14(19)11(16)7-8-12(17)20-9/h4,6-11,13-16,18-19H,2-3,5H2,1H3/b6-4-,8-7+/t9-,10-,11+,13?,14?/m0/s1
InChIKeyZNOJFQLCZXJAPX-HVDGXHEASA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.phytol.2011.08.008)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopyrolide A (CHEBI:219671) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5R,8S,9Z,14S)-5,6,7,8-tetrahydroxy-14-methyl-1-oxacyclotetradeca-3,9-dien-2-one