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CHEBI:227588 - Aspergone I

ChEBI IDCHEBI:227588
ChEBI NameAspergone I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O2
Net Charge0
Average Mass182.263
Monoisotopic Mass182.13068
SMILESC/C=C/C=C/C[C@](O)(/C=C/C)CO
InChIInChI=1S/C11H18O2/c1-3-5-6-7-9-11(13,10-12)8-4-2/h3-8,12-13H,9-10H2,1-2H3/b5-3+,7-6+,8-4+/t11-/m1/s1
InChIKeyOXRRGRAFJNBWTL-OKMSJDARSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies OUCMDZ-1583 (ncbitaxon:1548012) - DOI (10.1039/c5ra11185d)
ChEBI Ontology
Outgoing Relation(s)
Aspergone I (CHEBI:227588) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2S,4E,6E)-2-[(E)-prop-1-enyl]octa-4,6-diene-1,2-diol
Manual XrefsDatabases
40256847ChemSpider