EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222749 - 2,3-8,9-Bisanhydrolactarorufin

ChEBI IDCHEBI:222749
ChEBI Name2,3-8,9-Bisanhydrolactarorufin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O2
Net Charge0
Average Mass230.307
Monoisotopic Mass230.13068
SMILESCC1=C2CC(C)(C)CC2=CC2=C(C1)C(=O)OC2
InChIInChI=1S/C15H18O2/c1-9-4-12-11(8-17-14(12)16)5-10-6-15(2,3)7-13(9)10/h5H,4,6-8H2,1-3H3
InChIKeyOPHDICOAXLPQSX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,3-8,9-Bisanhydrolactarorufin (CHEBI:222749) is a butenolide (CHEBI:50523)
IUPAC Name 
5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]uran-3-one
Manual XrefsDatabases
9152493ChemSpider