EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86781 - lignin cw compound-240

Default Structure
ChEBI IDCHEBI:86781
ChEBI Namelignin cw compound-240
Stars
DownloadsMolfile
FormulaC18H22O9
Net Charge0
Average Mass382.365
Monoisotopic Mass382.12638
SMILESCOc1cc(C(OC(C)=O)C(COC(C)=O)OC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C18H22O9/c1-10(19)24-9-17(26-12(3)21)18(27-13(4)22)14-6-7-15(25-11(2)20)16(8-14)23-5/h6-8,17-18H,9H2,1-5H3
InChIKeyREKOGSXPQPHQSK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-240 (CHEBI:86781) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-240 (CHEBI:86781) is a organooxygen compound (CHEBI:36963)