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CHEBI:227487 - Acremeremophilane E

ChEBI IDCHEBI:227487
ChEBI NameAcremeremophilane E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESC/C=C/CCC(=O)O[C@H]1C=CC2=C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C
InChIInChI=1S/C21H26O5/c1-5-6-7-8-18(22)25-17-10-9-15-11-21(24)16(13(2)19(23)26-21)12-20(15,4)14(17)3/h5-6,9-11,14,17,24H,7-8,12H2,1-4H3/b6-5+/t14-,17-,20+,21-/m0/s1
InChIKeyUEQFUKYSYIDACR-GVTAMQEQSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (26928174)
ChEBI Ontology
Outgoing Relation(s)
Acremeremophilane E (CHEBI:227487) is a terpene lactone (CHEBI:37668)
IUPAC Name 
[(4aR,5R,6S,9aS)-9a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6-dihydro-4H-benzo[][1]benzouran-6-yl] (E)-hex-4-enoate
Manual XrefsDatabases
58196721ChemSpider