BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Fastigillin B

Fastigillin B synonyms

Wikipedia:

Graphical representations:

Fastigillin B image

View large 3D structure

Molecular Formula: C20H26O6

Natural Isotopic Abundance Mass: 362.41684

Mono-Isotopic Molecular Masses:

  • C12N14: 362.172938552
  • C13N14: 382.240035312
  • C12N15: 362.172938552
  • C13N15: 382.240035312

InChI String: InChI=1S/C20H26O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10-12,15-18,23H,1-5H3/t10-,11-,12+,15+,16-,17-,18-,20-/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   417662
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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