bmse010320 lignin_cw_compound

lignin_cw_compound_2067
bmse010320 - data

lignin_cw_compound_2067

1(4-acetoxy-3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanone

Molecular Formula: C20 H22 O8
Natural Isotopic Abundance Mass: 390.38388
Mono-Isotopic Molecular Masses: C12N14: 390.131467683; C13N14: 410.198564439; C12N15: 390.131467683; C13N15: 410.198564439

lignin_cw_compound_2067

InCHi String:
InChI=1/C20H22O8/c1-12(22)27-20-16(25-3)9-13(10-17(20)26-4)19(23)18(11-21)28-15-8-6-5-7-14(15)24-2/h5-10,18,21H,11H2,1-4H3

Canonical and Isomeric SMILES:
CC(=O)OC1=C(C=C(C=C1OC)C(C(CO)OC2=CC=CC=C2OC)=O)OC

Beilstein
1(4-acetoxy-3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanone

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 2067
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.