bmse010159 G-c-G at BMRB

G-c-G
bmse010159 - data

G-c-G

Molecular Formula: C22 H24 O7
Natural Isotopic Abundance Mass: 400.42176
Mono-Isotopic Molecular Masses: C12N14: 400.1522031251; C13N14: 422.2260095567; C12N15: 400.1522031251; C13N15: 422.2260095567

G-c-G

InCHi String:
InChI=1/C22H24O7/c1-12-8-16-17(11-27-13(2)23)21(29-22(16)20(9-12)26-5)15-6-7-18(28-14(3)24)19(10-15)25-4/h6-10,17,21H,11H2,1-5H3

Canonical and Isomeric SMILES:
CC1=CC3=C(C(=C1)OC)OC(C2=CC(=C(C=C2)OC(C)=O)OC)C3COC(C)=O

Lignin abbreviation
G-c-G

PubChem Substance (SID):   111678027
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 234
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.