EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:228889 - Myrislignan

ChEBI IDCHEBI:228889
ChEBI NameMyrislignan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESC=CCc1cc(OC)c(O[C@@H](C)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C21H26O6/c1-6-7-14-10-18(25-4)21(19(11-14)26-5)27-13(2)20(23)15-8-9-16(22)17(12-15)24-3/h6,8-13,20,22-23H,1,7H2,2-5H3/t13-,20-/m0/s1
InChIKeyULZFTGWWPHYLGI-RBZFPXEDSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Myrislignan (CHEBI:228889) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
4-[(1R,2S)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-hydroxypropyl]-2-methoxyphenol
Manual XrefsDatabases
10270348ChemSpider