EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198722 - Spiropreubetaione A

ChEBI IDCHEBI:198722
ChEBI NameSpiropreubetaione A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H12O5
Net Charge0
Average Mass320.300
Monoisotopic Mass320.06847
SMILESO=C1C=CC(=O)C12C=CC1(Oc3cccc4cccc(c34)O1)[C@H]2O
InChIInChI=1S/C19H12O5/c20-14-7-8-15(21)18(14)9-10-19(17(18)22)23-12-5-1-3-11-4-2-6-13(24-19)16(11)12/h1-10,17,22H/t17-/m0/s1
InChIKeyGQHMDFLEHLUOBV-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Preussiaspecies (in: ascomycete fungi) (ncbitaxon:1715257) - PubMed (19708679)
ChEBI Ontology
Outgoing Relation(s)
Spiropreubetaione A (CHEBI:198722) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
24673920ChemSpider