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CHEBI:199073 - Stemphyltoxin III

ChEBI IDCHEBI:199073
ChEBI NameStemphyltoxin III
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O6
Net Charge0
Average Mass348.310
Monoisotopic Mass348.06339
SMILESO=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O
InChIInChI=1S/C20H12O6/c21-9-4-2-8-7-1-3-10(22)14-12(7)16(18-19(26-18)17(14)24)20(25)6-5-11(23)13(9)15(8)20/h1-6,16,18-19,21-22,25H/t16-,18+,19-,20-/m0/s1
InChIKeyOXZKROMWFXHLSV-RNQOJCNYSA-N
Species of MetaboliteComponentSourceComments
Stemphylium (ncbitaxon:95729) - DOI (10.1039/p19860000525)
ChEBI Ontology
Outgoing Relation(s)
Stemphyltoxin III (CHEBI:199073) is a naphthalenone (CHEBI:25479)
IUPAC Name 
(10R,11S,12R,14R)-5,10,17-trihydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,8,16,18-heptaene-7,15-dione
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26286831ChemSpider