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CHEBI:212498 - Pestalotiol A

ChEBI IDCHEBI:212498
ChEBI NamePestalotiol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O3
Net Charge0
Average Mass214.305
Monoisotopic Mass214.15689
SMILESC/C=C/[C@H]1O[C@@H](CCC)[C@H](O)[C@]1(C)CO
InChIInChI=1S/C12H22O3/c1-4-6-9-11(14)12(3,8-13)10(15-9)7-5-2/h5,7,9-11,13-14H,4,6,8H2,1-3H3/b7-5+/t9-,10+,11-,12+/m0/s1
InChIKeyYMYXQXZNUKSSNV-HZBXJBIBSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis heterocornis (ncbitaxon:285113) - PubMed (28335391)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiol A (CHEBI:212498) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(2S,3R,4S,5R)-4-(hydroxymethyl)-4-methyl-5-[(E)-prop-1-enyl]-2-propyloxolan-3-ol
Manual XrefsDatabases
78439228ChemSpider