EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227092 - Aspernidgulene B1

ChEBI IDCHEBI:227092
ChEBI NameAspernidgulene B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O5
Net Charge0
Average Mass402.531
Monoisotopic Mass402.24062
SMILESCCC(C)C(=O)C(C)=CC(C)=CC=CC=C[C@]1(C)[C@@H](C)C(=O)O[C@H]1[C@@H](C)C(=O)O
InChIInChI=1S/C24H34O5/c1-8-16(3)20(25)17(4)14-15(2)12-10-9-11-13-24(7)19(6)23(28)29-21(24)18(5)22(26)27/h9-14,16,18-19,21H,8H2,1-7H3,(H,26,27)/t16?,18-,19+,21+,24-/m1/s1
InChIKeyQRNBVOYUUUAEPL-YVCRGICASA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (30302871)
ChEBI Ontology
Outgoing Relation(s)
Aspernidgulene B1 (CHEBI:227092) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(2R)-2-[(2S,3R,4R)-3,4-dimethyl-5-oxo-3-(6,8,10-trimethyl-9-oxododeca-1,3,5,7-tetraenyl)oxolan-2-yl]propanoic acid