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CHEBI:198887 - Pestalotiopsol B

ChEBI IDCHEBI:198887
ChEBI NamePestalotiopsol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O3
Net Charge0
Average Mass198.262
Monoisotopic Mass198.12559
SMILESC/C=C\[C@H](O)[C@H](O)/C(=C\C=C\C)CO
InChIInChI=1S/C11H18O3/c1-3-5-7-9(8-12)11(14)10(13)6-4-2/h3-7,10-14H,8H2,1-2H3/b5-3+,6-4-,9-7-/t10-,11+/m0/s1
InChIKeyQPHIDXVWDBPNIM-DPCQOWFFSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - DOI (10.1016/s0031-9422(97)00285-9)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsol B (CHEBI:198887) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(Z,2Z,3R,4S)-2-[(E)-but-2-enylidene]hept-5-ene-1,3,4-triol
Manual XrefsDatabases
78436419ChemSpider