EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229045 - Aeginetolide

ChEBI IDCHEBI:229045
ChEBI NameAeginetolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O3
Net Charge0
Average Mass198.262
Monoisotopic Mass198.12559
SMILESCC1(C)CCCC2(C)OC(=O)CC12O
InChIInChI=1S/C11H18O3/c1-9(2)5-4-6-10(3)11(9,13)7-8(12)14-10/h13H,4-7H2,1-3H3
InChIKeyTWGFYQIUSFIVDO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Aeginetolide (CHEBI:229045) is a benzofurans (CHEBI:35259)
IUPAC Name 
3a-hydroxy-4,4,7a-trimethyl-3,5,6,7-tetrahydro-1-benzouran-2-one
Manual XrefsDatabases
4475611ChemSpider