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CHEBI:4645 - Diphyllin

Default Structure
ChEBI IDCHEBI:4645
ChEBI NameDiphyllin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H16O7
Net Charge0
Average Mass380.352
Monoisotopic Mass380.08960
SMILESCOc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
InChIInChI=1S/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3
InChIKeyVMEJANRODATDOF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Diphyllin (CHEBI:4645) is a lignan (CHEBI:25036)
Synonym  Source
DiphyllinKEGG COMPOUND
Manual XrefsDatabases
C00002600KNApSAcK
C10559KEGG COMPOUND
Registry NumbersSources
CAS:22055-22-7KEGG COMPOUND