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CHEBI:219365 - Sphaerolone

ChEBI IDCHEBI:219365
ChEBI NameSphaerolone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O6
Net Charge0
Average Mass348.310
Monoisotopic Mass348.06339
SMILESO=C1C=C2O[C@@]3(O)CC(=O)c4c(O)cccc4C3=C2c2cccc(O)c21
InChIInChI=1S/C20H12O6/c21-11-5-1-3-9-16(11)13(23)7-15-18(9)19-10-4-2-6-12(22)17(10)14(24)8-20(19,25)26-15/h1-7,21-22,25H,8H2/t20-/m0/s1
InChIKeyOEPGXEJLGRYQSA-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (10963453)
ChEBI Ontology
Outgoing Relation(s)
Sphaerolone (CHEBI:219365) is a naphthalenone (CHEBI:25479)
IUPAC Name 
7,13,17-trihydroxy-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1,3(8),4,6,10,16(21),17,19-octaene-9,15-dione
Manual XrefsDatabases
78435022ChemSpider