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CHEBI:210123 - Exserolide J

ChEBI IDCHEBI:210123
ChEBI NameExserolide J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O8
Net Charge0
Average Mass338.312
Monoisotopic Mass338.10017
SMILESCOc1cc2c(c(O)c1OC)C(=O)O[C@@H]1C[C@H](CCC(=O)O)O[C@H]21
InChIInChI=1S/C16H18O8/c1-21-9-6-8-12(13(19)15(9)22-2)16(20)24-10-5-7(23-14(8)10)3-4-11(17)18/h6-7,10,14,19H,3-5H2,1-2H3,(H,17,18)/t7-,10+,14+/m0/s1
InChIKeyDXLKTUQBQNUJRU-LTRYTXMFSA-N
Species of MetaboliteComponentSourceComments
Exserohilum (ncbitaxon:91493) - PubMed (30091601)
ChEBI Ontology
Outgoing Relation(s)
Exserolide J (CHEBI:210123) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
3-[(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-5-oxo-2,3,3a,9b-tetrahydrouro[3,2-c]isochromen-2-yl]propanoic acid
Manual XrefsDatabases
71044424ChemSpider