Marvin  08120816432D          

 26 26  0  0  0  0            999 V2000
    0.7377    2.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164   -2.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330   -0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4273   -0.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153   -2.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940    2.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4060    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1117    0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4037    1.6494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -1.6166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2506    1.7996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6626    1.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2292   -1.7668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6413   -1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066   -1.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234   -1.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0912   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6956    0.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7170   -0.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446    1.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4565   -1.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6436   -2.4760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    2.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4778    1.0893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22  1  1  0  0  0  0
  1 15  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
  3 21  1  0  0  0  0
  3  4  1  0  0  0  0
 10  4  1  0  0  0  0
  4 20  2  0  0  0  0
 16  5  1  0  0  0  0
 10  5  1  0  0  0  0
 15  6  1  0  0  0  0
  6  9  1  0  0  0  0
  9  7  1  0  0  0  0
  7  8  1  0  0  0  0
 19  7  2  0  0  0  0
  8 18  1  0  0  0  0
 22 11  1  0  0  0  0
 21 12  1  0  0  0  0
 11 12  1  0  0  0  0
 18 14  1  0  0  0  0
 17 13  1  0  0  0  0
 14 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  2  0  0  0  0
 13 24  1  0  0  0  0
 14 23  2  0  0  0  0
M  END
> <ID>
CHEBI:50432

> <NAME>
putrebactin

> <STAR>
3

> <SYNONYM>
putrebactin

> <IUPAC_NAME>
1,11-dihydroxy-1,6,11,16-tetraazacycloicosane-2,5,12,15-tetrone

> <FORMULA>
C16H28N4O6

> <MASS>
372.41688

> <MONOISOTOPIC_MASS>
372.20088

> <CHARGE>
0

> <SMILES>
ON1CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O

> <INCHI>
InChI=1S/C16H28N4O6/c21-13-5-7-16(24)20(26)12-4-2-10-18-14(22)6-8-15(23)19(25)11-3-1-9-17-13/h25-26H,1-12H2,(H,17,21)(H,18,22)

> <INCHIKEY>
ONQBBCUWASUJGE-UHFFFAOYSA-N

> <PUBMED_CITATION>
18630910

$$$$