EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215001 - Heterocornol C

ChEBI IDCHEBI:215001
ChEBI NameHeterocornol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O3
Net Charge0
Average Mass206.241
Monoisotopic Mass206.09429
SMILESCC(O)C1C=Cc2cccc(O)c2CO1
InChIInChI=1S/C12H14O3/c1-8(13)12-6-5-9-3-2-4-11(14)10(9)7-15-12/h2-6,8,12-14H,7H2,1H3
InChIKeyNRRHMJWLACUEDG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis heterocornis (ncbitaxon:285113) - PubMed (28675830)
ChEBI Ontology
Outgoing Relation(s)
Heterocornol C (CHEBI:215001) is a oxacycle (CHEBI:38104)
IUPAC Name 
3-(1-hydroxyethyl)-1,3-dihydro-2-benzoxepin-9-ol
Manual XrefsDatabases
63002649ChemSpider