131802933
  CDK     1019221600

 15 14  0  0  0  0  0  0  0  0999 V2000
    7.0944    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  2 13  2  0  0  0  0 
  3 15  1  0  0  0  0 
  4 15  2  0  0  0  0 
  5 13  1  0  0  0  0 
  5 14  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:193776

> <NAME>
4-hydroxyoct-2-enoylglycine

> <STAR>
2

> <IUPAC_NAME>
2-[[(E)-4-hydroxyoct-2-enoyl]amino]acetic acid

> <FORMULA>
C10H17NO4

> <MASS>
215.249

> <MONOISOTOPIC_MASS>
215.11576

> <CHARGE>
0

> <SMILES>
OC(CCCC)/C=C/C(=O)NCC(O)=O

> <INCHI>
InChI=1S/C10H17NO4/c1-2-3-4-8(12)5-6-9(13)11-7-10(14)15/h5-6,8,12H,2-4,7H2,1H3,(H,11,13)(H,14,15)/b6-5+

> <INCHIKEY>
NAROFAISKZEFHU-AATRIKPKSA-N

$$$$