bmse010182 G-5-O-4-G at BMRB

G-5-O-4-G
bmse010182 - data

G-5-O-4-G

Molecular Formula: C20 H26 O5
Natural Isotopic Abundance Mass: 346.41744
Mono-Isotopic Molecular Masses: C12N14: 346.1780239451; C13N14: 366.2451207011; C12N15: 346.1780239451; C13N15: 366.2451207011

G-5-O-4-G

InCHi String:
InChI=1/C20H26O5/c1-5-7-13-8-9-16(17(10-13)23-3)25-19-12-14(15(21)6-2)11-18(24-4)20(19)22/h8-12,15,21-22H,5-7H2,1-4H3

Canonical and Isomeric SMILES:
CCCC1=CC(=C(C=C1)OC2=CC(=CC(=C2O)OC)C(CC)O)OC

Lignin abbreviation
G-5-O-4-G

PubChem Substance (SID):   111678039
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 273
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.