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CHEBI:197730 - Irlactin E

ChEBI IDCHEBI:197730
ChEBI NameIrlactin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC[C@@H]1[C@@H]2C[C@H](C(C=O)=C3CC(C)(C)C[C@@H]31)[C@@H](O)O2
InChIInChI=1S/C15H22O3/c1-8-10-5-15(2,3)6-11(10)12(7-16)9-4-13(8)18-14(9)17/h7-10,13-14,17H,4-6H2,1-3H3/t8-,9+,10+,13-,14-/m0/s1
InChIKeyJTDLKHLQSBHHRH-IUWMTURJSA-N
Species of MetaboliteComponentSourceComments
Irpex lacteus (ncbitaxon:5319) - DOI (10.1016/j.tetlet.2013.03.038)
ChEBI Ontology
Outgoing Relation(s)
Irlactin E (CHEBI:197730) is a oxolanes (CHEBI:26912)
IUPAC Name 
(1R,7R,8S,9S,11S)-11-hydroxy-5,5,8-trimethyl-10-oxatricyclo[7.2.1.03,7]dodec-2-ene-2-carbaldehyde