InCHi String:
InChI=1/C44H50O16/c1-25(45)55-23-31(59-43-35(49-5)13-11-14-36(43)50-6)17-29-19-33(41(57-27(3)47)39(21-29)53-9)34-20-30(22-40(54-10)42(34)58-28(4)48)18-32(24-56-26(2)46)60-44-37(51-7)15-12-16-38(44)52-8/h11-16,19-22,31-32H,17-18,23-24H2,1-10H3
Canonical and Isomeric SMILES: CC(=O)OCC(CC1=CC(=C(C(=C1)OC)OC(C)=O)C2=C(C(=CC(=C2)CC(COC(C)=O)OC3=C(C=CC=C3OC)OC)OC)OC(C)=O)OC4=C(C=CC=C4OC)OC
Lignin abbreviationS-b-G-5,5-G-b-S (A = CH2)
PubChem Substance (SID):
111678019PubChem Compound (CID): n/a
KEGG: Compound ID n/a
CAS Registry IDs: n/a
PDB Chemical Component n/a
NMR Lignin Database 224
Miscellaneous Databases and IDs: n/a
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.