EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206864 - Rubrolide S

ChEBI IDCHEBI:206864
ChEBI NameRubrolide S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O4
Net Charge0
Average Mass348.398
Monoisotopic Mass348.13616
SMILESCC1(C)CCc2cc(/C=C3\OC(=O)C=C3c3ccc(O)cc3)ccc2O1
InChIInChI=1S/C22H20O4/c1-22(2)10-9-16-11-14(3-8-19(16)26-22)12-20-18(13-21(24)25-20)15-4-6-17(23)7-5-15/h3-8,11-13,23H,9-10H2,1-2H3/b20-12-
InChIKeyUQZCXQAHQVWOAC-NDENLUEZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24326339)
ChEBI Ontology
Outgoing Relation(s)
Rubrolide S (CHEBI:206864) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-4-(4-hydroxyphenyl)uran-2-one
Manual XrefsDatabases
32674659ChemSpider