EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216737 - Verruculinone

ChEBI IDCHEBI:216737
ChEBI NameVerruculinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESC[C@@H]1C=CC(=O)[C@H](O)[C@@]12C(=O)O[C@H](C)C2=O
InChIInChI=1S/C11H12O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-6,9,14H,1-2H3/t5-,6-,9+,11-/m1/s1
InChIKeyVBOXLOPSWCNKSQ-GMVJNNPSSA-N
Species of MetaboliteComponentSourceComments
Didymosphaeria (ncbitaxon:85947) - DOI (10.1016/j.tet.2020.131497)
ChEBI Ontology
Outgoing Relation(s)
Verruculinone (CHEBI:216737) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3R,5S,6R,10R)-6-hydroxy-3,10-dimethyl-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
Manual XrefsDatabases
101935351ChemSpider