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CHEBI:9128 - Sesartemin

ChEBI IDCHEBI:9128
ChEBI NameSesartemin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H26O8
Net Charge0
Average Mass430.453
Monoisotopic Mass430.16277
SMILES[H][C@]12CO[C@H](c3cc(OC)c4c(c3)OCO4)[C@@]1([H])CO[C@@H]2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1
InChIKeyDHWUVPPRBIJJKS-VUEDXXQZSA-N
ChEBI Ontology
Outgoing Relation(s)
Sesartemin (CHEBI:9128) is a lignan (CHEBI:25036)
Synonym  Source
SesarteminKEGG COMPOUND
Manual XrefsDatabases
C10884KEGG COMPOUND
C00002627KNApSAcK
Registry NumbersSources
CAS:77394-27-5KEGG COMPOUND