Marvin  02261014202D          

 22 22  0  0  0  0            999 V2000
   -3.8423    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8423   -0.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1061    1.2300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5721    1.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0074   -0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0074   -1.2299    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.7072   -1.6884    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.2565   -1.6551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4210    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066    1.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2776    1.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514    1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659    0.7881    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    1.1514    2.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0074    1.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7218    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7218   -0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2929   -0.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2929    0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4363   -0.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  9  1  0  0  0  0
 21  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19  5  2  0  0  0  0
  5 20  1  0  0  0  0
 20 21  2  0  0  0  0
 19 22  1  0  0  0  0
M  CHG  2   6   1   7  -1
M  END
> <ID>
CHEBI:58988

> <NAME>
6-[(4-hydroxy-3-nitrophenyl)acetamido]caproyl group

> <DEFINITION>
A univalent carboacyl group formed by loss of OH from the carboxy group of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid.

> <STAR>
3

> <SYNONYM>
NP-caproyl

> <IUPAC_NAME>
6-{[(4-hydroxy-3-nitrophenyl)acetyl]amino}hexanoyl

> <FORMULA>
C14H17N2O5

> <MASS>
293.29520

> <MONOISOTOPIC_MASS>
293.11375

> <CHARGE>
0

> <SMILES>
C(=O)(NCCCCCC(*)=O)CC=1C=CC(=C([N+]([O-])=O)C1)O

> <PUBMED_CITATION>
6183362

$$$$