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CHEBI:210329 - Orirubenone C

ChEBI IDCHEBI:210329
ChEBI NameOrirubenone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESCC1=CCC[C@](C)(CC(=O)c2cc(O)c(O)cc2O)OC1=O
InChIInChI=1S/C16H18O6/c1-9-4-3-5-16(2,22-15(9)21)8-14(20)10-6-12(18)13(19)7-11(10)17/h4,6-7,17-19H,3,5,8H2,1-2H3/t16-/m1/s1
InChIKeyQNBHDATYDIMBOB-MRXNPFEDSA-N
Species of MetaboliteComponentSourceComments
Tricholoma orirubens (ncbitaxon:76324) - DOI (10.1016/j.tet.2003.10.129)
ChEBI Ontology
Outgoing Relation(s)
Orirubenone C (CHEBI:210329) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2,6-dimethyl-2-[2-oxo-2-(2,4,5-trihydroxyphenyl)ethyl]-3,4-dihydrooxepin-7-one
Manual XrefsDatabases
8555871ChemSpider