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CHEBI:200729 - Pestalol E

ChEBI IDCHEBI:200729
ChEBI NamePestalol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O6S
Net Charge0
Average Mass300.332
Monoisotopic Mass300.06676
SMILESCC[C@@H](CC=Cc1cccc(O)c1C=O)OS(=O)(=O)O
InChIInChI=1S/C13H16O6S/c1-2-11(19-20(16,17)18)7-3-5-10-6-4-8-13(15)12(10)9-14/h3-6,8-9,11,15H,2,7H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyQATRUJSEJSOFDH-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies AcBC2 (ncbitaxon:1128078) - PubMed (24690916)
ChEBI Ontology
Outgoing Relation(s)
Pestalol E (CHEBI:200729) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
6-(2-ormyl-3-hydroxyphenyl)hex-5-en-3-yl hydrogen sulate