bmse010438 G-b-S-OH at BMRB

G-b-S-OH
bmse010438 - data

G-b-S-OH

Molecular Formula: C H O
Natural Isotopic Abundance Mass: 15.9994
Mono-Isotopic Molecular Masses: C12N14: 15.9949146221; C13N14: 15.9949146221; C12N15: 15.9949146221; C13N15: 15.9949146221

G-b-S-OH

InCHi String:
InChI=1/C19H24O7/c1-11-7-15(24-3)19(16(8-11)25-4)26-17(10-20)18(22)12-5-6-13(21)14(9-12)23-2/h5-9,17-18,20-22H,10H2,1-4H3

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

Beilstein
G-b-S

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 242
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.