BMRB

Biological Magnetic Resonance Data Bank


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

G-b-S

G_b_S synonyms

Wikipedia:

Graphical representations:

G_b_S

View large 3D structure

Molecular Formula: C25H30O10

Natural Isotopic Abundance Mass: 490.4997

Mono-Isotopic Molecular Masses:

  • C12N14: 490.183897184
  • C13N14: 515.267768129
  • C12N15: 490.183897184
  • C13N15: 515.267768129

InChI string: InChI=1/C25H30O10/c1-14-10-21(30-6)25(22(11-14)31-7)35-23(13-32-15(2)26)24(34-17(4)28)18-8-9-19(33-16(3)27)20(12-18)29-5/h8-12,23-24H,13H2,1-7H3

USDA_NMR_database: 232

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, https://www.nature.com/articles/sdata201773)