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CHEBI:8281 - Podophyllotoxone

ChEBI IDCHEBI:8281
ChEBI NamePodophyllotoxone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILES[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3c(cc1C2=O)OCO3
InChIInChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1
InChIKeyISCQYPPCSYRZOT-BKTGTZMESA-N
ChEBI Ontology
Outgoing Relation(s)
Podophyllotoxone (CHEBI:8281) is a lactone (CHEBI:25000)
Podophyllotoxone (CHEBI:8281) is a lignan (CHEBI:25036)
Synonym  Source
PodophyllotoxoneKEGG COMPOUND
Manual XrefsDatabases
C10875KEGG COMPOUND
C00002620KNApSAcK
Registry NumbersSources
CAS:477-49-6KEGG COMPOUND