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CHEBI:213760 - Oxosorbiquinol

ChEBI IDCHEBI:213760
ChEBI NameOxosorbiquinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O9
Net Charge0
Average Mass512.555
Monoisotopic Mass512.20463
SMILESC/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H](C(=O)C1=C(O)C(C)=C(O)[C@@](C)(O)C1=O)[C@H]2/C=C/C
InChIInChI=1S/C28H32O9/c1-7-9-10-12-15(29)17-19-16(14(11-8-2)26(4,23(17)33)25(35)27(19,5)36)21(31)18-20(30)13(3)22(32)28(6,37)24(18)34/h7-12,14,16,19,29-30,32,36-37H,1-6H3/b9-7+,11-8+,12-10+,17-15-/t14-,16-,19+,26-,27+,28-/m1/s1
InChIKeyBSXBXXRYMBMLDB-NAYJBTNJSA-N
Species of MetaboliteComponentSourceComments
Phialocephala (ncbitaxon:150173) - PubMed (17551210)
ChEBI Ontology
Outgoing Relation(s)
Oxosorbiquinol (CHEBI:213760) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(1R,3S,4S,5Z,7R,8R)-3-hydroxy-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethyl-7-[(E)-prop-1-enyl]-8-[(5R)-2,4,5-trihydroxy-3,5-dimethyl-6-oxocyclohexa-1,3-diene-1-carbonyl]bicyclo[2.2.2]octane-2,6-dione
Manual XrefsDatabases
78438572ChemSpider