bmse010382 lignin_cw_compound

lignin_cw_compound_3069
bmse010382 - data

lignin_cw_compound_3069

G-(8-O-4)-5H?; nocomtal; (2E)-3-[3-(4-hydroxy-3-methoxy-phenyl)-2(hydroxymethyl)-8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl]acrylaldehyde

Molecular Formula: C20 H20 O7
Natural Isotopic Abundance Mass: 372.3686
Mono-Isotopic Molecular Masses: C12N14: 372.1209029967; C13N14: 392.1879997527; C12N15: 372.1209029967; C13N15: 392.1879997527

lignin_cw_compound_3069

InCHi String:
InChI=1/C20H20O7/c1-24-15-10-13(5-6-14(15)23)19-18(11-22)27-20-16(25-2)8-12(4-3-7-21)9-17(20)26-19/h3-10,18-19,22-23H,11H2,1-2H3/b4-3+

Canonical and Isomeric SMILES:
COC1=C(C=CC(=C1)C3C(CO)OC2=C(C=C(C=CC=O)C=C2O3)OC)O

Beilstein
nocomtal

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 3069
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.