EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219920 - Asperpentyn

ChEBI IDCHEBI:219920
ChEBI NameAsperpentyn
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O3
Net Charge0
Average Mass192.214
Monoisotopic Mass192.07864
SMILESC=C(C)C#CC1=C[C@H](O)[C@H]2O[C@H]2[C@@H]1O
InChIInChI=1S/C11H12O3/c1-6(2)3-4-7-5-8(12)10-11(14-10)9(7)13/h5,8-13H,1H2,2H3/t8-,9+,10+,11-/m0/s1
InChIKeyKPEYCTJGQFOOBS-ZDCRXTMVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus duricaulis (ncbitaxon:75552) - DOI (10.1016/0031-9422(88)83031-0)
ChEBI Ontology
Outgoing Relation(s)
Asperpentyn (CHEBI:219920) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,2R,5S,6R)-3-(3-methylbut-3-en-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
Manual XrefsDatabases
9655773ChemSpider