bmse010152 H-b-S at BMRB

H-b-S
bmse010152 - data

H-b-S

Molecular Formula: C27 H32 O11
Natural Isotopic Abundance Mass: 532.53638
Mono-Isotopic Molecular Masses: C12N14: 532.1944618703; C13N14: 559.2850424909; C12N15: 532.1944618703; C13N15: 559.2850424909

H-b-S

InCHi String:
InChI=1/C27H32O11/c1-15(35-17(3)29)21-12-23(32-6)27(24(13-21)33-7)38-25(14-34-16(2)28)26(37-19(5)31)20-8-10-22(11-9-20)36-18(4)30/h8-13,15,25-26H,14H2,1-7H3

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

Lignin abbreviation
H-b-S

PubChem Substance (SID):   111678020
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 225
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.