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CHEBI:217156 - Stemphyltoxin I

Default Structure
ChEBI IDCHEBI:217156
ChEBI NameStemphyltoxin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O7
Net Charge0
Average Mass366.325
Monoisotopic Mass366.07395
SMILESO=C1C[C@H](O)[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O
InChIInChI=1S/C20H14O7/c21-8-4-2-7-6-1-3-9(22)14-12(6)16(18-19(27-18)17(14)25)20(26)11(24)5-10(23)13(8)15(7)20/h1-4,11,16,18-19,21-22,24,26H,5H2/t11-,16-,18+,19-,20-/m0/s1
InChIKeyCWLFJXQTLUVHKQ-KLFMHZEUSA-N
Species of MetaboliteComponentSourceComments
Stemphylium (ncbitaxon:95729) - DOI (10.1039/p19860000525)
ChEBI Ontology
Outgoing Relation(s)
Stemphyltoxin I (CHEBI:217156) is a naphthalenone (CHEBI:25479)
IUPAC Name 
(9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione
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165381ChemSpider