bmse010046 Erone at BMRB

Erone
bmse010046 - data

Erone

Erone; 3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-propan-1-one

Molecular Formula: C17 H18 O6
Natural Isotopic Abundance Mass: 318.32122
Mono-Isotopic Molecular Masses: C12N14: 318.1103383104; C13N14: 335.167370553; C12N15: 318.1103383104; C13N15: 335.167370553

Erone

InCHi String:
InChI=1/C17H18O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16,18-19H,10H2,1-2H3

Canonical and Isomeric SMILES:
COC1=CC=CC=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)=O

Beilstein
Erone

PubChem Substance (SID):   111677940
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 106
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.