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CHEBI:86812 - lignin cw compound-29

ChEBI IDCHEBI:86812
ChEBI Namelignin cw compound-29
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FormulaC27H34O11
Net Charge0
Average Mass534.558
Monoisotopic Mass534.21011
SMILESCOc1ccc(C(OC(C)=O)C(COC(C)=O)Oc2c(OC)cc(C(C)OC(C)=O)cc2OC)cc1OC
InChIInChI=1S/C27H34O11/c1-15(36-17(3)29)20-12-23(33-7)27(24(13-20)34-8)38-25(14-35-16(2)28)26(37-18(4)30)19-9-10-21(31-5)22(11-19)32-6/h9-13,15,25-26H,14H2,1-8H3
InChIKeyPNRYUSNBKGPSFJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-29 (CHEBI:86812) has functional parent benzyl alcohol (CHEBI:17987)
lignin cw compound-29 (CHEBI:86812) is a carboxylic ester (CHEBI:33308)