EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210098 - Setosphalide B

ChEBI IDCHEBI:210098
ChEBI NameSetosphalide B
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-DCVWNHFUSA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
Setosphalide B (CHEBI:210098) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S,3'S,5'S)-3',7-dihydroxy-5,6-dimethoxy-5'-propylspiro[2-benzouran-3,2'-oxolane]-1-one
Manual XrefsDatabases
71044420ChemSpider