EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:86767 - lignin cw compound-2077

ChEBI IDCHEBI:86767
ChEBI Namelignin cw compound-2077
Stars
DownloadsMolfile
FormulaC33H34O12
Net Charge0
Average Mass622.623
Monoisotopic Mass622.20503
SMILESCOc1ccccc1O[C@H](COC(=O)/C=C/c1ccc(OC(C)=O)cc1)[C@@H](OC(C)=O)c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=1S/C33H34O12/c1-20(34)42-25-14-11-23(12-15-25)13-16-31(37)41-19-30(45-27-10-8-7-9-26(27)38-4)32(43-21(2)35)24-17-28(39-5)33(44-22(3)36)29(18-24)40-6/h7-18,30,32H,19H2,1-6H3/b16-13+/t30-,32+/m1/s1
InChIKeyFMHISWQEKPRXJA-URGABMBKSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2077 (CHEBI:86767) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-2077 (CHEBI:86767) is a organooxygen compound (CHEBI:36963)