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CHEBI:3701 - Cimifugin

ChEBI IDCHEBI:3701
ChEBI NameCimifugin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESCOc1c2c(cc3oc(CO)cc(=O)c13)O[C@H](C(C)(C)O)C2
InChIInChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1
InChIKeyATDBDSBKYKMRGZ-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
Cimifugin (CHEBI:3701) is a organic heterotricyclic compound (CHEBI:26979)
Cimifugin (CHEBI:3701) is a oxacycle (CHEBI:38104)
Synonym  Source
CimifuginKEGG COMPOUND
Manual XrefsDatabases
C09000KEGG COMPOUND
C00002421KNApSAcK
Registry NumbersSources
CAS:37921-38-3KEGG COMPOUND