InCHi String:
InChI=1/C41H48O17/c1-20(42)52-19-35(38(55-21(2)43)26-15-31(48-7)40(57-23(4)45)32(16-26)49-8)58-41-33(50-9)13-25(14-34(41)51-10)37-28-18-53-36(27(28)17-54-37)24-11-29(46-5)39(56-22(3)44)30(12-24)47-6/h11-16,27-28,35-38H,17-19H2,1-10H3
Canonical and Isomeric SMILES: CC(=O)OCC(C(C1=CC(=C(C(=C1)OC)OC(C)=O)OC)OC(C)=O)OC2=C(C=C(C=C2OC)C5C4COC(C3=CC(=C(C(=C3)OC)OC(C)=O)OC)C4CO5)OC
Lignin abbreviationS-b-S-r-S (acetate)
PubChem Substance (SID):
111678003PubChem Compound (CID): n/a
KEGG: Compound ID n/a
CAS Registry IDs: n/a
PDB Chemical Component n/a
NMR Lignin Database 199
Miscellaneous Databases and IDs: n/a
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.