EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86798 - lignin cw compound-27

ChEBI IDCHEBI:86798
ChEBI Namelignin cw compound-27
Stars
DownloadsMolfile
FormulaC19H20O7
Net Charge0
Average Mass360.362
Monoisotopic Mass360.12090
SMILESCOc1ccccc1OCC(=O)c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=1S/C19H20O7/c1-12(20)26-19-17(23-3)9-13(10-18(19)24-4)14(21)11-25-16-8-6-5-7-15(16)22-2/h5-10H,11H2,1-4H3
InChIKeyKSKYOPUWEZTCGB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-27 (CHEBI:86798) is a aromatic ketone (CHEBI:76224)