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CHEBI:199413 - Mycophenolic acid ethyl ester

ChEBI IDCHEBI:199413
ChEBI NameMycophenolic acid ethyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESCCOC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O
InChIInChI=1S/C19H24O6/c1-5-24-15(20)9-7-11(2)6-8-13-17(21)16-14(10-25-19(16)22)12(3)18(13)23-4/h6,21H,5,7-10H2,1-4H3/b11-6+
InChIKeyCUWYKVMNNGRAOW-IZZDOVSWSA-N
Species of MetaboliteComponentSourceComments
Penicillium brevicompactum (ncbitaxon:5074) - DOI (10.1016/s0040-4039(01)89288-1)
ChEBI Ontology
Outgoing Relation(s)
Mycophenolic acid ethyl ester (CHEBI:199413) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-4-methylhex-4-enoate
Manual XrefsDatabases
9079438ChemSpider