Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


S_8_O_4_G_8_5_G synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C31H36O11

Natural Isotopic Abundance Mass: 584.61094

Mono-Isotopic Molecular Masses:

  • C12N14: 584.2257619987
  • C13N14: 615.3297619705
  • C12N15: 584.2257619987
  • C13N15: 615.3297619705

InChI string: InChI=1S/C31H36O11/c1-37-23-12-18(30-21(15-33)20-10-17(6-5-9-32)11-26(40-4)31(20)42-30)7-8-22(23)41-27(16-34)28(35)19-13-24(38-2)29(36)25(14-19)39-3/h5-8,10-14,21,27-28,30,32-36H,9,15-16H2,1-4H3/b6-5+/t21-,27-,28-,30+/m0/s1

USDA_NMR_database: 3072

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,