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CHEBI:202877 - Dihydrooxosorbiquinol

ChEBI IDCHEBI:202877
ChEBI NameDihydrooxosorbiquinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O9
Net Charge0
Average Mass514.571
Monoisotopic Mass514.22028
SMILESC/C=C/CCC(=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/C28H34O9/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/h7-9,11,14,16,19,30,32-33,36-37H,10,12H2,1-6H3/b9-7+,11-8+/t14-,16-,19+,26-,27?,28-/m1/s1
InChIKeySJEJDTOPDKRRDN-ASKKPAGSSA-N
Species of MetaboliteComponentSourceComments
Phialocephala (ncbitaxon:150173) - PubMed (17551210)
ChEBI Ontology
Outgoing Relation(s)
Dihydrooxosorbiquinol (CHEBI:202877) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,4S,7R,8R)-5-[(E)-hex-4-enoyl]-3,6-dihydroxy-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]oct-5-en-2-one
Manual XrefsDatabases
78436925ChemSpider