EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205464 - Vulgaredilone

ChEBI IDCHEBI:205464
ChEBI NameVulgaredilone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O4
Net Charge0
Average Mass442.640
Monoisotopic Mass442.30831
SMILESCCCCCCCCCCCCC1C(=O)Oc2cc3c(cc21)CC(CCC(C)C)OC3=O
InChIInChI=1S/C28H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-23-25-18-21-17-22(16-15-20(2)3)31-28(30)24(21)19-26(25)32-27(23)29/h18-20,22-23H,4-17H2,1-3H3
InChIKeyZBZXQEXMHFZLEI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (23432151)
ChEBI Ontology
Outgoing Relation(s)
Vulgaredilone (CHEBI:205464) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
3-dodecyl-6-(3-methylbutyl)-5,6-dihydro-3H-uro[3,2-g]isochromene-2,8-dione
Manual XrefsDatabases
78435351ChemSpider