EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182716 - Isosarcophine

ChEBI IDCHEBI:182716
ChEBI NameIsosarcophine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@@]12CC/C(C)=C/CC/C(C)=C/[C@]3([H])OC(=O)C(C)=C3CC[C@@]1(C)O2
InChIInChI=1S/C20H28O3/c1-13-6-5-7-14(2)12-17-16(15(3)19(21)22-17)10-11-20(4)18(23-20)9-8-13/h6,12,17-18H,5,7-11H2,1-4H3/b13-6+,14-12+/t17-,18+,20+/m0/s1
InChIKeySFVXZSDFKHJFIY-CFCZUDOTSA-N
ChEBI Ontology
Outgoing Relation(s)
Isosarcophine (CHEBI:182716) is a butenolide (CHEBI:50523)
IUPAC Name 
(4R,6R,9E,13E,15S)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-trien-17-one
Manual XrefsDatabases
10475708ChemSpider