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CHEBI:226209 - Exserolide A

ChEBI IDCHEBI:226209
ChEBI NameExserolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESCC[C@@H](O)[C@H]1C[C@H]2OC(=O)c3c(cc(OC)c(OC)c3O)[C@H]2O1
InChIInChI=1S/C16H20O7/c1-4-8(17)9-6-11-14(22-9)7-5-10(20-2)15(21-3)13(18)12(7)16(19)23-11/h5,8-9,11,14,17-18H,4,6H2,1-3H3/t8-,9-,11-,14-/m1/s1
InChIKeyIELGRTIPFVIRGM-RSVSFAPFSA-N
Species of MetaboliteComponentSourceComments
Exserohilumspecies (ncbitaxon:1868163) - PubMed (24752143)
ChEBI Ontology
Outgoing Relation(s)
Exserolide A (CHEBI:226209) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(2R,3aR,9bR)-6-hydroxy-2-[(1R)-1-hydroxypropyl]-7,8-dimethoxy-2,3,3a,9b-tetrahydrouro[3,2-c]isochromen-5-one
Manual XrefsDatabases
78443405ChemSpider