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CHEBI:216109 - Exserolide C

ChEBI IDCHEBI:216109
ChEBI NameExserolide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCCC[C@@H]1C[C@H]2OC(=O)c3c(cc(OC)c(OC)c3O)[C@@H]2O1
InChIInChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11-,14+/m1/s1
InChIKeyVAYQNUBOZLPGDH-UGQGEIBHSA-N
Species of MetaboliteComponentSourceComments
Exserohilumspecies (ncbitaxon:1868163) - PubMed (24752143)
ChEBI Ontology
Outgoing Relation(s)
Exserolide C (CHEBI:216109) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(2R,3aR,9bS)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrouro[3,2-c]isochromen-5-one
Manual XrefsDatabases
78443435ChemSpider