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CHEBI:86770 - lignin cw compound-2080

ChEBI IDCHEBI:86770
ChEBI Namelignin cw compound-2080
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FormulaC32H34O12
Net Charge0
Average Mass610.612
Monoisotopic Mass610.20503
SMILESCOc1cc([C@H](O)[C@@H](COC(=O)/C=C/c2ccc(OC(C)=O)cc2)Oc2c(OC)cccc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C32H34O12/c1-19(33)42-23-13-10-21(11-14-23)12-15-29(35)41-18-28(44-31-24(37-3)8-7-9-25(31)38-4)30(36)22-16-26(39-5)32(43-20(2)34)27(17-22)40-6/h7-17,28,30,36H,18H2,1-6H3/b15-12+/t28-,30+/m1/s1
InChIKeyCLCQNEFEJDVTAT-SISFDJNFSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-2080 (CHEBI:86770) is a phenylpropanoid (CHEBI:26004)