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CHEBI:214953 - Heterocornol G

ChEBI IDCHEBI:214953
ChEBI NameHeterocornol G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O3
Net Charge0
Average Mass274.360
Monoisotopic Mass274.15689
SMILESCC(C)=CCc1ccc(O)c2c1C=CC(C(C)O)OC2
InChIInChI=1S/C17H22O3/c1-11(2)4-5-13-6-8-16(19)15-10-20-17(12(3)18)9-7-14(13)15/h4,6-9,12,17-19H,5,10H2,1-3H3
InChIKeyWYNOIGSLXBGTKO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis heterocornis (ncbitaxon:285113) - PubMed (28675830)
ChEBI Ontology
Outgoing Relation(s)
Heterocornol G (CHEBI:214953) is a oxacycle (CHEBI:38104)
IUPAC Name 
3-(1-hydroxyethyl)-6-(3-methylbut-2-enyl)-1,3-dihydro-2-benzoxepin-9-ol
Manual XrefsDatabases
63002653ChemSpider