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CHEBI:86676 - lignin cw compound-1025

ChEBI IDCHEBI:86676
ChEBI Namelignin cw compound-1025
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FormulaC33H34O12
Net Charge0
Average Mass622.623
Monoisotopic Mass622.20503
SMILESCOc1cc(/C=C/C(=O)Oc2ccc(C(OC(C)=O)C(COC(C)=O)Oc3ccccc3OC)cc2OC)ccc1OC(C)=O
InChIInChI=1S/C33H34O12/c1-20(34)41-19-31(44-26-10-8-7-9-25(26)38-4)33(43-22(3)36)24-13-15-28(30(18-24)40-6)45-32(37)16-12-23-11-14-27(42-21(2)35)29(17-23)39-5/h7-18,31,33H,19H2,1-6H3/b16-12+
InChIKeyJDKZOMBGWPSOCM-FOWTUZBSSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-1025 (CHEBI:86676) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-1025 (CHEBI:86676) is a organooxygen compound (CHEBI:36963)