EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216261 - Pestalotiopyrone K

ChEBI IDCHEBI:216261
ChEBI NamePestalotiopyrone K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESCOc1cc(/C(C)=C/C(=O)OC[C@@H](O)[C@H](O)COC(C)=O)oc(=O)c1
InChIInChI=1S/C16H20O9/c1-9(14-5-11(22-3)6-16(21)25-14)4-15(20)24-8-13(19)12(18)7-23-10(2)17/h4-6,12-13,18-19H,7-8H2,1-3H3/b9-4+/t12-,13-/m1/s1
InChIKeyBQIDYCAZPCUFST-BDFMHNHWSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis virgatula (ncbitaxon:290289) - DOI (10.1016/j.tetlet.2013.04.031)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopyrone K (CHEBI:216261) is a pyranone (CHEBI:37963)
IUPAC Name 
[(2R,3R)-4-acetyloxy-2,3-dihydroxybutyl] (E)-3-(4-methoxy-6-oxopyran-2-yl)but-2-enoate
Manual XrefsDatabases
30770834ChemSpider