EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207109 - Stagochromene A

ChEBI IDCHEBI:207109
ChEBI NameStagochromene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCC[C@H]1OC2CCCC(=O)C2C(=O)[C@@H]1O
InChIInChI=1S/C12H18O4/c1-2-4-9-11(14)12(15)10-7(13)5-3-6-8(10)16-9/h8-11,14H,2-6H2,1H3/t8?,9-,10?,11-/m1/s1
InChIKeyCINUSHZZDRNYMQ-VGRIYTJTSA-N
Species of MetaboliteComponentSourceComments
Stagonospora (ncbitaxon:54788) - PubMed (31670962)
ChEBI Ontology
Outgoing Relation(s)
Stagochromene A (CHEBI:207109) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(2R,3R)-3-hydroxy-2-propyl-3,4a,6,7,8,8a-hexahydro-2H-chromene-4,5-dione