443003
  CDK     0701212310

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.0418   -0.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2580   -1.8683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300   -1.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    1.6650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5081    0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7216    0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5008   -0.6566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6621   -0.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8757    0.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0443    0.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8169   -0.1953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7015    2.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5296   -1.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0 
  2 13  1  0  0  0  0 
  3 13  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4 12  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 13  1  1  0  0  0 
  8  9  1  0  0  0  0 
 10 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:176716

> <NAME>
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

> <STAR>
2

> <IUPAC_NAME>
(2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

> <FORMULA>
C9H15NO3

> <MASS>
185.223

> <MONOISOTOPIC_MASS>
185.10519

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@@H](C2N(C(CC2)C1)C)C(O)=O

> <INCHI>
InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8+/m0/s1

> <INCHIKEY>
PHMBVCPLDPDESM-RLXKETGRSA-N

> <KEGG_COMPOUND_ACCESSION>
C10858

$$$$