EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201639 - Orirubenone D

ChEBI IDCHEBI:201639
ChEBI NameOrirubenone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESC/C(=C\C(=O)c1cc(O)ccc1O)CC/C=C(\C)C(=O)O
InChIInChI=1S/C16H18O5/c1-10(4-3-5-11(2)16(20)21)8-15(19)13-9-12(17)6-7-14(13)18/h5-9,17-18H,3-4H2,1-2H3,(H,20,21)/b10-8+,11-5+
InChIKeyRNESCYAQSWYFLZ-BSJVZVMRSA-N
Species of MetaboliteComponentSourceComments
Tricholoma orirubens (ncbitaxon:76324) - PubMed (16116299)
ChEBI Ontology
Outgoing Relation(s)
Orirubenone D (CHEBI:201639) is a hydroquinones (CHEBI:24646)
IUPAC Name 
(2E,6E)-8-(2,5-dihydroxyphenyl)-2,6-dimethyl-8-oxoocta-2,6-dienoic acid
Manual XrefsDatabases
28282993ChemSpider