EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221007 - Bisvertinoquinol

ChEBI IDCHEBI:221007
ChEBI NameBisvertinoquinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O8
Net Charge0
Average Mass498.572
Monoisotopic Mass498.22537
SMILESC/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]1[C@@]2(C(=O)CC/C=C/C)C(=O)C(C)=C(O)[C@@]1(C)O
InChIInChI=1S/C28H34O8/c1-7-9-11-13-16(29)18-19-20-27(6,36)21(31)15(3)22(32)28(20,17(30)14-12-10-8-2)25(4,23(18)33)24(34)26(19,5)35/h7-11,13,19-20,29,31,35-36H,12,14H2,1-6H3/b9-7+,10-8+,13-11+,18-16-/t19-,20-,25-,26+,27+,28+/m1/s1
InChIKeyZXWVVZIMJSPORF-FTTFQXIBSA-N
Species of MetaboliteComponentSourceComments
Verticillium (ncbitaxon:1036719) - DOI (10.1016/S0040-4020(01)88647-6)
ChEBI Ontology
Outgoing Relation(s)
Bisvertinoquinol (CHEBI:221007) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,2R,6S,7S,8S,9S,12Z)-2-[(E)-hex-4-enoyl]-5,6,9-trihydroxy-12-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.02,7]dodec-4-ene-3,10,11-trione
Manual XrefsDatabases
65321646ChemSpider