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CHEBI:219665 - Pestalotiopyrolide B

ChEBI IDCHEBI:219665
ChEBI NamePestalotiopyrolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O5
Net Charge0
Average Mass268.309
Monoisotopic Mass268.13107
SMILESC[C@H]1CCC/C=C/[C@@H](O)[C@H]2O[C@H]2[C@@H](O)C=CC(=O)O1
InChIInChI=1S/C14H20O5/c1-9-5-3-2-4-6-10(15)13-14(19-13)11(16)7-8-12(17)18-9/h4,6-11,13-16H,2-3,5H2,1H3/b6-4+,8-7?/t9-,10+,11-,13+,14-/m0/s1
InChIKeyIZTMFEJNMBMWKQ-JAWHCXNKSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/j.phytol.2011.08.008)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopyrolide B (CHEBI:219665) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,7S,11E,13R,14R)-2,13-dihydroxy-7-methyl-6,15-dioxabicyclo[12.1.0]pentadeca-3,11-dien-5-one