bmse010251 Syringylglycerol-B-guaiacyl ether at BMRB

Syringylglycerol-B-guaiacyl ether
bmse010251 - data

Syringylglycerol-B-guaiacyl ether

Syringylglycerol-B-guaiacyl ether; 1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy) propane-1,3-diol

Molecular Formula: C18 H22 O7
Natural Isotopic Abundance Mass: 350.36308
Mono-Isotopic Molecular Masses: C12N14: 350.1365530609; C13N14: 368.1969401413; C12N15: 350.1365530609; C13N15: 368.1969401413

Syringylglycerol-B-guaiacyl ether

InCHi String:
InChI=1/C18H22O7/c1-22-12-6-4-5-7-13(12)25-16(10-19)17(20)11-8-14(23-2)18(21)15(9-11)24-3/h4-9,16-17,19-21H,10H2,1-3H3

Canonical and Isomeric SMILES:
COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C(=C2)OC)O)OC)O

Beilstein
Syringylglycerol-B-guaiacyl ether

PubChem Substance (SID):   111678071
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 90
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.