EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86667 - lignin cw compound-1009

ChEBI IDCHEBI:86667
ChEBI Namelignin cw compound-1009
Stars
DownloadsMolfile
FormulaC30H28O10
Net Charge0
Average Mass548.544
Monoisotopic Mass548.16825
SMILESCOc1cc(C(=O)C(COC(=O)/C=C/c2ccc(OC(C)=O)cc2)Oc2ccccc2OC)ccc1OC(C)=O
InChIInChI=1S/C30H28O10/c1-19(31)38-23-13-9-21(10-14-23)11-16-29(33)37-18-28(40-25-8-6-5-7-24(25)35-3)30(34)22-12-15-26(39-20(2)32)27(17-22)36-4/h5-17,28H,18H2,1-4H3/b16-11+
InChIKeyUQGPTBXGGBTUBN-LFIBNONCSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-1009 (CHEBI:86667) is a aromatic ketone (CHEBI:76224)