EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225403 - Emefuran C2

ChEBI IDCHEBI:225403
ChEBI NameEmefuran C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O5
Net Charge0
Average Mass388.504
Monoisotopic Mass388.22497
SMILESCCCCC[C@H](OC(C)=O)C(=O)C[C@H]1OCc2c(O)ccc(CC=C(C)C)c21
InChIInChI=1S/C23H32O5/c1-5-6-7-8-21(28-16(4)24)20(26)13-22-23-17(10-9-15(2)3)11-12-19(25)18(23)14-27-22/h9,11-12,21-22,25H,5-8,10,13-14H2,1-4H3/t21-,22+/m0/s1
InChIKeyQYILIAIVQHLJQC-FCHUYYIVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26306816)
ChEBI Ontology
Outgoing Relation(s)
Emefuran C2 (CHEBI:225403) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
[(3S)-1-[(1R)-4-hydroxy-7-(3-methylbut-2-enyl)-1,3-dihydro-2-benzouran-1-yl]-2-oxooctan-3-yl] acetate
Manual XrefsDatabases
78438759ChemSpider