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CHEBI:86718 - lignin cw compound-2022

ChEBI IDCHEBI:86718
ChEBI Namelignin cw compound-2022
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FormulaC38H42O13
Net Charge0
Average Mass706.741
Monoisotopic Mass706.26254
SMILESCOc1cc([C@@H](Oc2ccc(/C=C/COC(C)=O)cc2OC)[C@H](COC(C)=O)Oc2ccc(/C=C/COC(C)=O)cc2OC)ccc1OC(C)=O
InChIInChI=1S/C38H42O13/c1-24(39)46-18-8-10-28-12-15-32(34(20-28)43-5)50-37(23-48-26(3)41)38(30-14-17-31(49-27(4)42)36(22-30)45-7)51-33-16-13-29(21-35(33)44-6)11-9-19-47-25(2)40/h8-17,20-22,37-38H,18-19,23H2,1-7H3/b10-8+,11-9+/t37-,38+/m0/s1
InChIKeyUWYVEHJEQKCLHK-AUSVQKPKSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2022 (CHEBI:86718) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-2022 (CHEBI:86718) is a organooxygen compound (CHEBI:36963)