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CHEBI:220129 - Eremofortin A

ChEBI IDCHEBI:220129
ChEBI NameEremofortin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESCC(=O)O[C@H]1[C@H]2O[C@H]2C2=CC(=O)[C@]3(C[C@]2(C)[C@H]1C)OC3(C)C
InChIInChI=1S/C17H22O5/c1-8-12(20-9(2)18)14-13(21-14)10-6-11(19)17(7-16(8,10)5)15(3,4)22-17/h6,8,12-14H,7H2,1-5H3/t8-,12+,13-,14+,16+,17-/m0/s1
InChIKeyNQRGNSMJSDQOED-FQAGGABLSA-N
Species of MetaboliteComponentSourceComments
Penicillium roqueforti (ncbitaxon:5082) - DOI (10.1016/s0040-4039(00)92896-x)
ChEBI Ontology
Outgoing Relation(s)
Eremofortin A (CHEBI:220129) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1aR,2R,3R,3aR,5R,7bS)-3,3',3',3a-tetramethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate
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64849569ChemSpider