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CHEBI:9647 - Trachelogenin

ChEBI IDCHEBI:9647
ChEBI NameTrachelogenin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H24O7
Net Charge0
Average Mass388.416
Monoisotopic Mass388.15220
SMILESCOc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O
InChIInChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1
InChIKeyYFVZKLQNMNKWSB-BTYIYWSLSA-N
ChEBI Ontology
Outgoing Relation(s)
Trachelogenin (CHEBI:9647) is a lignan (CHEBI:25036)
Synonyms  Source
TrachelogeninKEGG COMPOUND
(-)-TrachelogeninKEGG COMPOUND
Manual XrefsDatabases
C10891KEGG COMPOUND
C00000600KNApSAcK
Registry NumbersSources
CAS:34209-69-3KEGG COMPOUND