Biological Magnetic Resonance Data Bank

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


1-Kestose synonyms


Graphical representations:


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Molecular Formula: C18H32O16

Natural Isotopic Abundance Mass: 504.43708

Mono-Isotopic Molecular Masses:

  • C12N14: 504.169034944001
  • C13N14: 522.229422028001
  • C12N15: 504.169034944001
  • C13N15: 522.229422028001

InChI string: InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1

MMCD: cq_18892
PDB Compound ID: DQR
PubChem Compound (CID): 440080

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,