11073391
  CDK     0404242200

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.8627    1.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364   -1.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7600   -0.8346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926   -0.3497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3475    0.4349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1725    0.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4275   -0.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3080   -0.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0 
  2  8  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  8  1  6  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:230349

> <NAME>
2R-Hydroxymethyl-3S-hydroxypyrolidine

> <STAR>
2

> <IUPAC_NAME>
(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol

> <FORMULA>
C5H11NO2

> <MASS>
117.148

> <MONOISOTOPIC_MASS>
117.07898

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@H](NCC1)CO

> <INCHI>
InChI=1S/C5H11NO2/c7-3-4-5(8)1-2-6-4/h4-8H,1-3H2/t4-,5+/m1/s1

> <INCHIKEY>
TYLFLHPQWQQWRD-UHNVWZDZSA-N

$$$$