EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210439 - Curvulone A

ChEBI IDCHEBI:210439
ChEBI NameCurvulone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESC[C@@H]1CCC(=O)CC2Oc3cc(O)cc(c3C2=O)CC(=O)O1
InChIInChI=1S/C16H16O6/c1-8-2-3-10(17)6-13-16(20)15-9(5-14(19)21-8)4-11(18)7-12(15)22-13/h4,7-8,13,18H,2-3,5-6H2,1H3/t8-,13?/m1/s1
InChIKeyHIIVTQUVGCJQCN-UOGPZTOASA-N
Species of MetaboliteComponentSourceComments
Curvulariaspecies (ncbitaxon:1715225) - DOI (10.1002/ejoc.201001237)
ChEBI Ontology
Outgoing Relation(s)
Curvulone A (CHEBI:210439) is a benzofurans (CHEBI:35259)
IUPAC Name 
(9R)-3-hydroxy-9-methyl-8,17-dioxatricyclo[12.2.1.05,16]heptadeca-1,3,5(16)-triene-7,12,15-trione
Manual XrefsDatabases
78442626ChemSpider