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CHEBI:197878 - Orirubenone A

ChEBI IDCHEBI:197878
ChEBI NameOrirubenone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESC/C(=C/CC/C(C)=C/C(=O)c1cc(O)c(O)cc1O)C(=O)O
InChIInChI=1S/C16H18O6/c1-9(4-3-5-10(2)16(21)22)6-12(17)11-7-14(19)15(20)8-13(11)18/h5-8,18-20H,3-4H2,1-2H3,(H,21,22)/b9-6+,10-5-
InChIKeyRTSRTVWJAJLQRY-KWNZIKDBSA-N
Species of MetaboliteComponentSourceComments
Tricholoma orirubens (ncbitaxon:76324) - DOI (10.1016/j.tet.2003.10.129)
ChEBI Ontology
Outgoing Relation(s)
Orirubenone A (CHEBI:197878) is a hydroquinones (CHEBI:24646)
IUPAC Name 
(2Z,6E)-2,6-dimethyl-8-oxo-8-(2,4,5-trihydroxyphenyl)octa-2,6-dienoic acid
Manual XrefsDatabases
8216349ChemSpider