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CHEBI:210118 - Exserolide I

ChEBI IDCHEBI:210118
ChEBI NameExserolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O7
Net Charge0
Average Mass324.329
Monoisotopic Mass324.12090
SMILESCOc1cc2c(c(O)c1OC)C(=O)O[C@@H]1C[C@H](CCCO)O[C@H]21
InChIInChI=1S/C16H20O7/c1-20-10-7-9-12(13(18)15(10)21-2)16(19)23-11-6-8(4-3-5-17)22-14(9)11/h7-8,11,14,17-18H,3-6H2,1-2H3/t8-,11+,14+/m0/s1
InChIKeyYJAAFPMLPPQOOG-OLXJLDBKSA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
Exserolide I (CHEBI:210118) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(2S,3aR,9bR)-6-hydroxy-2-(3-hydroxypropyl)-7,8-dimethoxy-2,3,3a,9b-tetrahydrouro[3,2-c]isochromen-5-one
Manual XrefsDatabases
71044423ChemSpider