EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220670 - Decarestrictine B

Default Structure
ChEBI IDCHEBI:220670
ChEBI NameDecarestrictine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O5
Net Charge0
Average Mass214.217
Monoisotopic Mass214.08412
SMILESC[C@@H]1C[C@@H]2O[C@@H]2[C@H](O)CC(=O)CC(=O)O1
InChIInChI=1S/C10H14O5/c1-5-2-8-10(15-8)7(12)3-6(11)4-9(13)14-5/h5,7-8,10,12H,2-4H2,1H3/t5-,7-,8+,10-/m1/s1
InChIKeyXYYINJYPZZOQLA-PJGXCUNHSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (28531175)
ChEBI Ontology
Outgoing Relation(s)
Decarestrictine B (CHEBI:220670) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(1S,3R,9R,10R)-9-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undecane-5,7-dione
Manual XrefsDatabases
74095319ChemSpider