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CHEBI:61117 - sorgoleone

ChEBI IDCHEBI:61117
ChEBI Namesorgoleone
Stars
DefinitionA member of the family of benzoquinones, sorgoleone is 2-hydroxy-5-methoxy-1,4-benzoquinone in which the hydrogen at position 3 is substituted by a (4Z,7Z)-pentadeca-1,4,7-trien-15-yl group.
Last Modified3 June 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESC=CC/C=C\C/C=C\CCCCCCCC1=C(O)C(=O)C=C(OC)C1=O
InChIInChI=1S/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h3,5-6,8-9,17,24H,1,4,7,10-16H2,2H3/b6-5-,9-8-
InChIKeyFGWRUVXUQWGLOX-AFJQJTPPSA-N
ChEBI Ontology
Outgoing Relation(s)
sorgoleone (CHEBI:61117) is a monohydroxy-1,4-benzoquinones (CHEBI:67273)
sorgoleone (CHEBI:61117) is conjugate acid of sorgoleone(1−) (CHEBI:61098)
Incoming Relation(s)
sorgoleone(1−) (CHEBI:61098) is conjugate base of sorgoleone (CHEBI:61117)
IUPAC Name 
2-hydroxy-5-methoxy-3-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
Synonyms  Source
2-hydroxy-5-methoxy-3-(8'Z,11'Z)-pentadeca-8',11',14'-trienyl-p-benzoquinoneChEBI
2-hydroxy-5-methoxy-3-(8'Z,11'Z)-pentadeca-8',11',14'-trienyl-1,4-benzoquinoneChEBI
2-hydroxy-5-methoxy-3-[(Z,Z)-8',11',14'- pentadecatriene]-p-benzoquinoneChEBI
Citations