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CHEBI:212860 - Stereumin E

ChEBI IDCHEBI:212860
ChEBI NameStereumin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESCC1=C2C(=O)C[C@@H](C)[C@@H]3C[C@@H]4O[C@@]4(C)[C@@H](OC1=O)[C@@H]23
InChIInChI=1S/C15H18O4/c1-6-4-9(16)11-7(2)14(17)18-13-12(11)8(6)5-10-15(13,3)19-10/h6,8,10,12-13H,4-5H2,1-3H3/t6-,8+,10+,12-,13+,15-/m1/s1
InChIKeyQQAVMPULQLQIEJ-PYTFTVEGSA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (18325552)
ChEBI Ontology
Outgoing Relation(s)
Stereumin E (CHEBI:212860) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2R,9S,10R,12S,14R)-2,6,10-trimethyl-8,11-dioxatetracyclo[7.4.1.05,14.010,12]tetradec-5-ene-4,7-dione
Manual XrefsDatabases
78441510ChemSpider