EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199496 - Theibetaenolactone C

ChEBI IDCHEBI:199496
ChEBI NameTheibetaenolactone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESC/C=C/[C@@H]1O[C@H]2C(=C[C@H]1O)C(=O)O[C@@H]2C
InChIInChI=1S/C11H14O4/c1-3-4-9-8(12)5-7-10(15-9)6(2)14-11(7)13/h3-6,8-10,12H,1-2H3/b4-3+/t6-,8-,9+,10-/m1/s1
InChIKeyUNUOWDGIBRAPFZ-GDQWMFRCSA-N
Species of MetaboliteComponentSourceComments
Theissenia cinerea (ncbitaxon:419774) - PubMed (22162166)
ChEBI Ontology
Outgoing Relation(s)
Theibetaenolactone C (CHEBI:199496) is a furopyran (CHEBI:74927)
IUPAC Name 
(2S,3R,7R,7aS)-3-hydroxy-7-methyl-2-[(E)-prop-1-enyl]-2,3,7,7a-tetrahydrouro[3,4-b]pyran-5-one
Manual XrefsDatabases
78440775ChemSpider