EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86670 - lignin cw compound-1013

ChEBI IDCHEBI:86670
ChEBI Namelignin cw compound-1013
Stars
DownloadsMolfile
FormulaC31H32O11
Net Charge0
Average Mass580.586
Monoisotopic Mass580.19446
SMILESCOc1cc(/C=C/C(=O)OCC(Oc2ccccc2OC)C(O)c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O
InChIInChI=1S/C31H32O11/c1-19(32)40-25-13-10-21(16-27(25)37-4)11-15-30(34)39-18-29(42-24-9-7-6-8-23(24)36-3)31(35)22-12-14-26(41-20(2)33)28(17-22)38-5/h6-17,29,31,35H,18H2,1-5H3/b15-11+
InChIKeyMSKVRCHOFOMMFX-RVDMUPIBSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-1013 (CHEBI:86670) is a phenylpropanoid (CHEBI:26004)