Marvin  01281109282D          

 10  9  0  0  1  0            999 V2000
    6.9154  -16.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0575  -16.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3430  -16.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2009  -16.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2009  -15.2409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4864  -16.4784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4864  -17.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7719  -16.0659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7719  -15.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2027  -17.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  6  4  1  0  0  0  0
  8  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  1  0  0  0
  8  9  1  6  0  0  0
  7 10  1  0  0  0  0
M  END
> <ID>
CHEBI:61129

> <NAME>
N-hydroxy-L-isoleucine

> <DEFINITION>
An N-hydroxyamino acid that is derived from L-isoleucine.

> <STAR>
3

> <IUPAC_NAME>
N-hydroxy-L-isoleucine

> <FORMULA>
C6H13NO3

> <MASS>
147.17230

> <MONOISOTOPIC_MASS>
147.08954

> <CHARGE>
0

> <SMILES>
CC[C@H](C)[C@H](NO)C(O)=O

> <INCHI>
InChI=1S/C6H13NO3/c1-3-4(2)5(7-10)6(8)9/h4-5,7,10H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

> <INCHIKEY>
YEGAKLYOVHUQIJ-WHFBIAKZSA-N

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