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CHEBI:199113 - Microsphaeropsone A

ChEBI IDCHEBI:199113
ChEBI NameMicrosphaeropsone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCOC(=O)[C@@]1(O)c2c(oc3cccc(O)c3c2=O)OC=C(C)[C@H]1O
InChIInChI=1S/C16H14O8/c1-7-6-23-14-11(16(21,13(7)19)15(20)22-2)12(18)10-8(17)4-3-5-9(10)24-14/h3-6,13,17,19,21H,1-2H3/t13-,16-/m1/s1
InChIKeyWSFQFDPAWTWVMC-CZUORRHYSA-N
Species of MetaboliteComponentSourceComments
Seimatosporiumspecies (ncbitaxon:2011878) - PubMed (19777508)
ChEBI Ontology
Outgoing Relation(s)
Microsphaeropsone A (CHEBI:199113) is a coumarins (CHEBI:23403)
IUPAC Name 
methyl (4R,5R)-4,5,7-trihydroxy-3-methyl-6-oxo-4H-oxepino[2,3-b]chromene-5-carboxylate
Manual XrefsDatabases
28286971ChemSpider