EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175409 - 7'-O-Methylmarmin

ChEBI IDCHEBI:175409
ChEBI Name7'-O-Methylmarmin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O5
Net Charge0
Average Mass346.423
Monoisotopic Mass346.17802
SMILESCOC(C)(C)C(O)CC/C(C)=C/COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C20H26O5/c1-14(5-9-18(21)20(2,3)23-4)11-12-24-16-8-6-15-7-10-19(22)25-17(15)13-16/h6-8,10-11,13,18,21H,5,9,12H2,1-4H3/b14-11+
InChIKeyHODOWBFKRLQCBH-SDNWHVSQSA-N
ChEBI Ontology
Outgoing Relation(s)
7'-O-Methylmarmin (CHEBI:175409) is a coumarins (CHEBI:23403)
IUPAC Name 
7-[(E)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enoxy]chromen-2-one
Manual XrefsDatabases
35015029ChemSpider
HMDB0040795HMDB