bmse010369 lignin_cw_compound

lignin_cw_compound_3052
bmse010369 - data

lignin_cw_compound_3052

Molecular Formula: C20 H22 O7
Natural Isotopic Abundance Mass: 374.38448
Mono-Isotopic Molecular Masses: C12N14: 374.1365530609; C13N14: 394.2036498169; C12N15: 374.1365530609; C13N15: 394.2036498169

lignin_cw_compound_3052

InCHi String:
InChI=1/C20H22O7/c1-5-26-20(22)18(12-13-9-10-14(21)17(11-13)25-4)27-19-15(23-2)7-6-8-16(19)24-3/h6-12,21H,5H2,1-4H3/b18-12-

Canonical and Isomeric SMILES:
CCOC(C(=CC1=CC(=C(C=C1)O)OC)OC2=C(C=CC=C2OC)OC)=O

Beilstein
To be defined

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 3052
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.