EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207215 - Guignarlactone A

ChEBI IDCHEBI:207215
ChEBI NameGuignarlactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O5
Net Charge0
Average Mass262.261
Monoisotopic Mass262.08412
SMILESC[C@H]1CCC(=O)O[C@@H]2C(=O)c3c(O)cccc3O[C@H]21
InChIInChI=1S/C14H14O5/c1-7-5-6-10(16)19-14-12(17)11-8(15)3-2-4-9(11)18-13(7)14/h2-4,7,13-15H,5-6H2,1H3/t7-,13-,14+/m0/s1
InChIKeyJAOMWMISXKPYMS-HNWMMTHTSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (26241103)
ChEBI Ontology
Outgoing Relation(s)
Guignarlactone A (CHEBI:207215) is a chromones (CHEBI:23238)
IUPAC Name 
(5S,5aS,11aS)-10-hydroxy-5-methyl-4,5,5a,11a-tetrahydro-3H-oxepino[3,2-b]chromene-2,11-dione
Manual XrefsDatabases
59002552ChemSpider