EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179838 - Flakinin A

ChEBI IDCHEBI:179838
ChEBI NameFlakinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILES[H][C@]12[C@]3(C)[C@]4([H])C[C@@]1([H])OC(=O)[C@@]2([H])[C@H](C(C)C)[C@@H](O)[C@@]3([H])OC4=O
InChIInChI=1S/C15H20O5/c1-5(2)8-9-10-7(19-14(9)18)4-6-13(17)20-12(11(8)16)15(6,10)3/h5-12,16H,4H2,1-3H3/t6-,7-,8+,9+,10+,11-,12-,15+/m1/s1
InChIKeyARTRGGOHXKOVOA-MPGIMBTLSA-N
ChEBI Ontology
Outgoing Relation(s)
Flakinin A (CHEBI:179838) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1R,4S,5S,6R,7S,10S,11R,12S)-6-hydroxy-11-methyl-5-propan-2-yl-2,8-dioxatetracyclo[8.2.1.04,12.07,11]tridecane-3,9-dione
Manual XrefsDatabases
8764185ChemSpider