EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:9127 - Sesamolinol

Default Structure
ChEBI IDCHEBI:9127
ChEBI NameSesamolinol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILES[H][C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@]1([H])CO[C@@H]2Oc1ccc(O)c(OC)c1
InChIInChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1
InChIKeyOJVGWDJIYBTWDS-AFHBHXEDSA-N
ChEBI Ontology
Outgoing Relation(s)
Sesamolinol (CHEBI:9127) is a methoxybenzenes (CHEBI:51683)
Sesamolinol (CHEBI:9127) is a phenols (CHEBI:33853)
Synonym  Source
SesamolinolKEGG COMPOUND
Manual XrefsDatabases
C00002626KNApSAcK
C10883KEGG COMPOUND
Registry NumbersSources
CAS:100016-94-2KEGG COMPOUND