bmse010162 H-c-G at BMRB

H-c-G
bmse010162 - data

H-c-G

Molecular Formula: C21 H22 O6
Natural Isotopic Abundance Mass: 370.39578
Mono-Isotopic Molecular Masses: C12N14: 370.1416384388; C13N14: 391.2120900326; C12N15: 370.1416384388; C13N15: 391.2120900326

H-c-G

InCHi String:
InChI=1/C30H34O9/c1-18-8-11-24(26(14-18)33-5)38-29(17-36-20(3)31)30(39-25-12-9-19(2)15-27(25)34-6)22-10-13-23(37-21(4)32)28(16-22)35-7/h8-16,29-30H,17H2,1-7H3

Canonical and Isomeric SMILES:
CC1=CC(=C(C=C1)OC(COC(C)=O)C(C2=CC(=C(C=C2)OC(C)=O)OC)OC3=C(C=C(C)C=C3)OC)OC

Lignin abbreviation
H-c-G

PubChem Substance (SID):   111678030
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 239
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.