EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174934 - Achillicin

ChEBI IDCHEBI:174934
ChEBI NameAchillicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILES[H][C@@]12[C@@H](OC(C)=O)C[C@@](C)(O)C3=CCC(C)=C3[C@@]1([H])OC(=O)[C@H]2C
InChIInChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3/t9-,12-,14+,15+,17+/m0/s1
InChIKeyZPTLTKQKVWFFNY-SZQAVTOOSA-N
ChEBI Ontology
Outgoing Relation(s)
Achillicin (CHEBI:174934) is a γ-lactone (CHEBI:37581)
IUPAC Name 
[(3S,3aR,4S,6R,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]uran-4-yl] acetate