LDCast

LDCast bmse001222 - Data

LDCast synonyms

Wikipedia:

Graphical representations:

LDCast

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Molecular Formula: C8H15NO4

Natural Isotopic Abundance Mass: 189.209

Mono-Isotopic Molecular Masses:

  • C12N14: 189.100107965
  • C13N14: 197.126946669
  • C12N15: 190.097142858
  • C13N15: 198.123981562

InChI string: InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6-,7-,8-/m0/s1

IUPAC: (1S,6S,7S,8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol

PubChem Compound (CID): 451988
NSC:

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)