bmse010380 G-(8-O-4)-S at BMRB

G-(8-O-4)-S
bmse010380 - data

G-(8-O-4)-S

G-(8-O-4)-S; threo-1-(4-hydroxy-3-methoxy-phenyl)-2-[2,6dimethoxy-phenoxy-4-(3-hydroxy-propenyl)]-propane-1,3-diol

Molecular Formula: C21 H26 O8
Natural Isotopic Abundance Mass: 406.42634
Mono-Isotopic Molecular Masses: C12N14: 406.1627678114; C13N14: 427.2332194052; C12N15: 406.1627678114; C13N15: 427.2332194052

G-(8-O-4)-S

InCHi String:
InChI=1/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+

Canonical and Isomeric SMILES:
COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=CCO)C=C2OC)OC)O)O

Lignin abbreviation
G-(8-O-4)-S

PubChem Substance (SID):   111678088
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 3067
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.