CHEBI:6115 - Karwinskione

ChEBI IDCHEBI:6115
ChEBI NameKarwinskione
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H32O7
Net Charge0
Average Mass528.601
Monoisotopic Mass528.21480
SMILESCOc1cc(OC)c2cc3c(c(-c4ccc5cc6c(c(O)c5c4O)C(=O)CC(C)(O)C6)c2c1)CC(C)OC3C
InChIInChI=1S/C32H32O7/c1-15-8-23-21(16(2)39-15)12-22-24(10-19(37-4)11-26(22)38-5)29(23)20-7-6-17-9-18-13-32(3,36)14-25(33)27(18)31(35)28(17)30(20)34/h6-7,9-12,15-16,34-36H,8,13-14H2,1-5H3
InChIKeyXFQXBYAOHZIDSQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Karwinskione (CHEBI:6115) is a lignan (CHEBI:25036)
Synonym  Source
KarwinskioneKEGG COMPOUND
Manual XrefsDatabases
C09944KEGG COMPOUND
C00002999KNApSAcK
Registry NumbersSources
CAS:59481-46-8KEGG COMPOUND