bmse010360 lignin_cw_compound

lignin_cw_compound_3040
bmse010360 - data

lignin_cw_compound_3040

Molecular Formula: C19 H20 O7
Natural Isotopic Abundance Mass: 360.3579
Mono-Isotopic Molecular Masses: C12N14: 360.1209029967; C13N14: 379.1846449149; C12N15: 360.1209029967; C13N15: 379.1846449149

lignin_cw_compound_3040

InCHi String:
InChI=1/C19H20O7/c1-22-14-6-5-7-15(23-2)19(14)26-13(11-20)8-12-9-16(24-3)18(21)17(10-12)25-4/h5-11,21H,1-4H3/b13-8-

Canonical and Isomeric SMILES:
COC1=C(C(=CC=C1)OC)OC(=CC2=CC(=C(C(=C2)OC)O)OC)C=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 3040
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.