bmse010178 H-b-H5e at BMRB

H-b-H5e
bmse010178 - data
bmse010180 - data

H-b-H5e

Molecular Formula: C16 H18 O4
Natural Isotopic Abundance Mass: 274.31172
Mono-Isotopic Molecular Masses: C12N14: 274.1205090662; C13N14: 290.174186471; C12N15: 274.1205090662; C13N15: 290.174186471

H-b-H5e

InCHi String:
InChI=1/C16H18O4/c1-11-2-8-14(9-3-11)20-15(10-17)16(19)12-4-6-13(18)7-5-12/h2-9,15-19H,10H2,1H3

Canonical and Isomeric SMILES:
CC1=CC=C(C=C1)OC(CO)C(C2=CC=C(C=C2)O)O

Lignin abbreviation
H-b-H5e

PubChem Substance (SID):   111678035
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 268 270
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.