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CHEBI:86802 - lignin cw compound-278

ChEBI IDCHEBI:86802
ChEBI Namelignin cw compound-278
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FormulaC38H44O13
Net Charge0
Average Mass708.757
Monoisotopic Mass708.27819
SMILESCCC(OC(C)=O)c1cc(OC)c2c(c1)-c1cc(C(CC)OC(C)=O)cc(OC)c1OC(c1ccc(OC(C)=O)c(OC)c1)C(COC(C)=O)O2
InChIInChI=1S/C38H44O13/c1-10-29(47-21(4)40)25-14-27-28-15-26(30(11-2)48-22(5)41)18-34(45-9)38(28)51-36(24-12-13-31(49-23(6)42)32(16-24)43-7)35(19-46-20(3)39)50-37(27)33(17-25)44-8/h12-18,29-30,35-36H,10-11,19H2,1-9H3
InChIKeyCFWMFZBFCDPVSC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
lignin cw compound-278 (CHEBI:86802) has functional parent tetracarboxylic acid (CHEBI:35742)
lignin cw compound-278 (CHEBI:86802) is a organooxygen compound (CHEBI:36963)