Entry STAR file: bmst000271.str
Generated Data for: L-(-) arabitol
BMRB Entry DOI: doi:10.13018/BMST000271
PDB file: bmst000271
Natural Isotopic formula weight: 152.1457800000
Shift ID | Atom ID | Value |
---|---|---|
1 | C1 | 69.957 |
2 | C2 | 69.702 |
3 | C3 | 66.030 |
4 | C5 | 67.533 |
5 | C7 | 64.096 |
6 | H11 | 3.745 |
7 | H12 | 5.088 |
8 | H13 | 5.328 |
9 | H14 | 2.693 |
10 | H15 | 4.406 |
11 | H16 | 5.218 |
12 | H17 | 2.705 |
13 | H18 | 4.601 |
14 | H19 | 4.693 |
15 | H20 | 3.159 |
16 | H21 | 0.279 |
17 | H22 | 0.438 |
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