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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Abscisic Acid; Abscisic Acid Monoammonium Salt, (R)-Isomer; Abscisic Acid, (+,-)-Isomer; Abscisic Acid, (E,E)-(+-)-Isomer; Abscisic Acid, (E,Z)-(+,-)-Isomer; Abscisic Acid, (R)-Isomer; Abscisic Acid, (Z,E)-Isomer; Abscissic Acid; Abscissins
Molecular Formula: C15H20O4
Natural Isotopic Abundance Mass: 264.3169
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
SMILES:
PubChem Substance (SID): n/aReference 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