EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86786 - lignin cw compound-253

Default Structure
ChEBI IDCHEBI:86786
ChEBI Namelignin cw compound-253
Stars
DownloadsMolfile
FormulaC28H24O9
Net Charge0
Average Mass504.491
Monoisotopic Mass504.14203
SMILESCOc1cc(/C=C/COC(=O)c2ccc(OC(C)=O)cc2)ccc1OC(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C28H24O9/c1-18(29)35-23-11-7-21(8-12-23)27(31)34-16-4-5-20-6-15-25(26(17-20)33-3)37-28(32)22-9-13-24(14-10-22)36-19(2)30/h4-15,17H,16H2,1-3H3/b5-4+
InChIKeyXAOZSZLDRRQFRZ-SNAWJCMRSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-253 (CHEBI:86786) is a carbonyl compound (CHEBI:36586)