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CHEBI:1959 - 5'-Demethoxydeoxypodophyllotoxin

ChEBI IDCHEBI:1959
ChEBI Name5'-Demethoxydeoxypodophyllotoxin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILES[H][C@]12COC(=O)[C@]1([H])[C@H](c1ccc(OC)c(OC)c1)c1cc3c(cc1C2)OCO3
InChIInChI=1S/C21H20O6/c1-23-15-4-3-11(6-16(15)24-2)19-14-8-18-17(26-10-27-18)7-12(14)5-13-9-25-21(22)20(13)19/h3-4,6-8,13,19-20H,5,9-10H2,1-2H3/t13-,19+,20-/m0/s1
InChIKeyMKWAWTRNIPHOLB-SVIJTADQSA-N
ChEBI Ontology
Outgoing Relation(s)
5'-Demethoxydeoxypodophyllotoxin (CHEBI:1959) is a lactone (CHEBI:25000)
5'-Demethoxydeoxypodophyllotoxin (CHEBI:1959) is a lignan (CHEBI:25036)
Synonym  Source
5'-DemethoxydeoxypodophyllotoxinKEGG COMPOUND
Manual XrefsDatabases
C10551KEGG COMPOUND
C00002593KNApSAcK
Registry NumbersSources
CAS:63700-40-3KEGG COMPOUND