EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228114 - 1alpha,10alpha-epoxy-3beta,13-dihydroxyeremophil-7(11)-en-12,8beta-olide

ChEBI IDCHEBI:228114
ChEBI Name1alpha,10alpha-epoxy-3beta,13-dihydroxyeremophil-7(11)-en-12,8beta-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESC[C@H]1[C@@H](O)C[C@@H]2O[C@@]23C[C@H]2OC(=O)C(CO)=C2C[C@]13C
InChIInChI=1S/C15H20O5/c1-7-10(17)3-12-15(20-12)5-11-8(4-14(7,15)2)9(6-16)13(18)19-11/h7,10-12,16-17H,3-6H2,1-2H3/t7-,10-,11+,12-,14+,15-/m0/s1
InChIKeyFCRGKHQZHZPUKP-DOTPOFJWSA-N
ChEBI Ontology
Outgoing Relation(s)
1alpha,10alpha-epoxy-3beta,13-dihydroxyeremophil-7(11)-en-12,8beta-olide (CHEBI:228114) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(1R,3R,9R,10R,11S,13S)-11-hydroxy-6-(hydroxymethyl)-9,10-dimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
Manual XrefsDatabases
80564739ChemSpider