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CHEBI:8920 - Rutamarin

ChEBI IDCHEBI:8920
ChEBI NameRutamarin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILES[H][C@@]1(C(C)(C)OC(C)=O)Cc2cc3cc(C(C)(C)C=C)c(=O)oc3cc2O1
InChIInChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3/t18-/m0/s1
InChIKeyAWMHMGFGCLBSAY-SFHVURJKSA-N
ChEBI Ontology
Outgoing Relation(s)
Rutamarin (CHEBI:8920) is a furanocoumarin (CHEBI:24128)
Synonym  Source
RutamarinKEGG COMPOUND
Manual XrefsDatabases
C09308KEGG COMPOUND
C00002495KNApSAcK
Registry NumbersSources
CAS:14882-94-1KEGG COMPOUND