bmse010157 G-b-S at BMRB

G-b-S
bmse010157 - data

G-b-S

Molecular Formula: C25 H30 O10
Natural Isotopic Abundance Mass: 490.4997
Mono-Isotopic Molecular Masses: C12N14: 490.183897184; C13N14: 515.267768129; C12N15: 490.183897184; C13N15: 515.267768129

G-b-S

InCHi String:
InChI=1/C25H30O10/c1-14-10-21(30-6)25(22(11-14)31-7)35-23(13-32-15(2)26)24(34-17(4)28)18-8-9-19(33-16(3)27)20(12-18)29-5/h8-12,23-24H,13H2,1-7H3

Canonical and Isomeric SMILES:
CC1=CC(=C(C(=C1)OC)OC(COC(C)=O)C(C2=CC(=C(C=C2)OC(C)=O)OC)OC(C)=O)OC

Lignin abbreviation
G-b-S

PubChem Substance (SID):   111678025
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 232
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.