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CHEBI:221031 - Heptacyclosordariolone

ChEBI IDCHEBI:221031
ChEBI NameHeptacyclosordariolone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCC(O)C1(O)C=Cc2cccc(O)c2CO1
InChIInChI=1S/C12H14O4/c1-8(13)12(15)6-5-9-3-2-4-11(14)10(9)7-16-12/h2-6,8,13-15H,7H2,1H3
InChIKeySIGIFLFHWBFSEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sordaria macrospora (ncbitaxon:5147) - DOI (10.1515/znc-1989-9-1001)
ChEBI Ontology
Outgoing Relation(s)
Heptacyclosordariolone (CHEBI:221031) is a oxacycle (CHEBI:38104)
IUPAC Name 
3-(1-hydroxyethyl)-1H-2-benzoxepine-3,9-diol