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CHEBI:209348 - Pestalotiopsol A

ChEBI IDCHEBI:209348
ChEBI NamePestalotiopsol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O3
Net Charge0
Average Mass200.278
Monoisotopic Mass200.14124
SMILESC/C=C/C=C(/CO)[C@@H](O)[C@@H](O)CCC
InChIInChI=1S/C11H20O3/c1-3-5-7-9(8-12)11(14)10(13)6-4-2/h3,5,7,10-14H,4,6,8H2,1-2H3/b5-3+,9-7-/t10-,11+/m0/s1
InChIKeyLHCXNDUUQILQIH-DMABKHLUSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/s0031-9422(97)00285-9)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsol A (CHEBI:209348) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2Z,3R,4S)-2-[(E)-but-2-enylidene]heptane-1,3,4-triol
Manual XrefsDatabases
78438469ChemSpider