InCHi String:
InChI=1/C21H24O7/c1-25-16-9-13(10-17(26-2)19(16)24)20-15(11-23)14-7-12(5-4-6-22)8-18(27-3)21(14)28-20/h4-5,7-10,15,20,22-24H,6,11H2,1-3H3/b5-4+
Canonical and Isomeric SMILES: COC1=C(C(=CC(=C1)C3C(CO)C2=C(C(=CC(=C2)C=CCO)OC)O3)OC)O
BeilsteinSimulanol
PubChem Substance (SID):
111678084PubChem Compound (CID): n/a
KEGG: Compound ID n/a
CAS Registry IDs: n/a
PDB Chemical Component n/a
NMR Lignin Database 3063
Miscellaneous Databases and IDs: n/a
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
