Genipin

Genipin bmse001314 - Data

Genipin synonyms

Wikipedia:

Graphical representations:

Genipin

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Molecular Formula: C11H14O5

Natural Isotopic Abundance Mass: 226.22586

Mono-Isotopic Molecular Masses:

  • C12N14: 226.084123548
  • C13N14: 237.121026766
  • C12N15: 226.084123548
  • C13N15: 237.121026766

InChI string: InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1

IUPAC: methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate

PubChem Compound (CID): 442424

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)