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CHEBI:6097 - Kadsurenone

ChEBI IDCHEBI:6097
ChEBI NameKadsurenone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESC=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@H](c1ccc(OC)c(OC)c1)[C@H]2C
InChIInChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
InChIKeyVDYACOATPFOZIO-UBWHGVKJSA-N
ChEBI Ontology
Outgoing Relation(s)
Kadsurenone (CHEBI:6097) is a benzofurans (CHEBI:35259)
Synonym  Source
KadsurenoneKEGG COMPOUND
Manual XrefsDatabases
C10638KEGG COMPOUND
C00000719KNApSAcK
Registry NumbersSources
CAS:95851-37-9KEGG COMPOUND