EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173184 - Isolimonic acid 16->17-lactone

ChEBI IDCHEBI:173184
ChEBI NameIsolimonic acid 16->17-lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O9
Net Charge0
Average Mass488.533
Monoisotopic Mass488.20463
SMILESCC1(C)OCC2(C(O)CC(=O)O)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
InChIInChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15,12-33-22)17(28)10-18(29)30)5-7-23(3)19(13-6-8-32-11-13)34-21(31)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,28H,5,7,9-10,12H2,1-4H3,(H,29,30)
InChIKeySZSLZBYOLTYIOE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Isolimonic acid 16->17-lactone (CHEBI:173184) is a steroid lactone (CHEBI:26766)
IUPAC Name 
3-[7-(uran-3-yl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]-3-hydroxypropanoic acid
Manual XrefsDatabases
HMDB0039364HMDB
35014779ChemSpider