EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86864 - lignin cw compound-3052

ChEBI IDCHEBI:86864
ChEBI Namelignin cw compound-3052
Stars
DownloadsMolfile
FormulaC20H22O7
Net Charge0
Average Mass374.389
Monoisotopic Mass374.13655
SMILESCCOC(=O)/C(=C/c1ccc(O)c(OC)c1)Oc1c(OC)cccc1OC
InChIInChI=1S/C20H22O7/c1-5-26-20(22)18(12-13-9-10-14(21)17(11-13)25-4)27-19-15(23-2)7-6-8-16(19)24-3/h6-12,21H,5H2,1-4H3/b18-12-
InChIKeyULFVFBFRDRFLDD-PDGQHHTCSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-3052 (CHEBI:86864) has functional parent pyruvic acid (CHEBI:32816)
lignin cw compound-3052 (CHEBI:86864) is a 2-oxo monocarboxylic acid (CHEBI:35910)