null
  CDK     0224162200
null
 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8256   -0.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2001    0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7193    0.7788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2700    1.4707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4731    1.2572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4299    0.4333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2596    2.0540    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0565    2.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690    2.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549    2.4665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549    3.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2596    3.7040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1694    3.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1694    4.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5019    5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569    5.7986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5819    5.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368    5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    3.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5983    3.7040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    2.4665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5432    0.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9177    0.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9925    1.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920   -0.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  6  0  0  0 
  6  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  4  1  0  0  0  0 
  8  9  2  0  0  0  0 
  7 10  1  1  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 14  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 19 21  1  0  0  0  0 
  3 22  1  6  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
  2 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:94447

> <NAME>
(2S,5S,6R)-6-[[2-carboxy-1-oxo-2-(3-thiophenyl)ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

> <STAR>
2

> <FORMULA>
C15H16N2O6S2

> <MASS>
384.430

> <MONOISOTOPIC_MASS>
384.04498

> <CHARGE>
0

> <SMILES>
CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)C(C3=CSC=C3)C(=O)O)C(=O)O)C

> <INCHI>
InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7?,8-,9+,12+/m1/s1

> <INCHIKEY>
OHKOGUYZJXTSFX-CDLSRNGISA-N

> <LINCS_ACCESSION>
LSM-5160

$$$$