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CHEBI:210093 - Setosphalide A

ChEBI IDCHEBI:210093
ChEBI NameSetosphalide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESCCC[C@H]1C[C@H](O)[C@@]2(OC(=O)c3c2cc(OC)c(OC)c3O)O1
InChIInChI=1S/C16H20O7/c1-4-5-8-6-11(17)16(22-8)9-7-10(20-2)14(21-3)13(18)12(9)15(19)23-16/h7-8,11,17-18H,4-6H2,1-3H3/t8-,11-,16+/m0/s1
InChIKeyDGQQJNWIUCEYSV-LFZOIZTFSA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
Setosphalide A (CHEBI:210093) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3R,3'S,5'S)-3',7-dihydroxy-5,6-dimethoxy-5'-propylspiro[2-benzouran-3,2'-oxolane]-1-one
Manual XrefsDatabases
71044419ChemSpider