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CHEBI:215015 - Heterocornol E

ChEBI IDCHEBI:215015
ChEBI NameHeterocornol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O3
Net Charge0
Average Mass206.241
Monoisotopic Mass206.09429
SMILESC[C@@H]1O[C@H]2O[C@@H]1CCc1cccc(O)c12
InChIInChI=1S/C12H14O3/c1-7-10-6-5-8-3-2-4-9(13)11(8)12(14-7)15-10/h2-4,7,10,12-13H,5-6H2,1H3/t7-,10+,12-/m0/s1
InChIKeyORAZICTVJWVQCF-KOLSJAJHSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis heterocornis (ncbitaxon:285113) - PubMed (28675830)
ChEBI Ontology
Outgoing Relation(s)
Heterocornol E (CHEBI:215015) is a phenols (CHEBI:33853)
IUPAC Name 
(1S,10R,11S)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5-trien-3-ol
Manual XrefsDatabases
63002651ChemSpider