17 17  0  0  0  0  0  0  0  0999 V2000
   27.1566  -17.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1566  -19.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3688  -20.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5811  -19.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5811  -17.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3688  -17.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3688  -15.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3688  -14.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7686  -15.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9690  -15.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8120  -17.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9444  -20.0865    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   30.8120  -20.0975    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   30.8117  -21.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6091  -19.3963    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   25.9443  -21.4861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4387  -19.1210    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  7  9  1  0     0  0
  7 10  1  0     0  0
  5 11  1  0     0  0
  2 12  1  0     0  0
  4 13  1  0     0  0
 13 14  2  0     0  0
 12 15  1  0     0  0
 12 16  2  0     0  0
 13 17  1  0     0  0
M  CHG  4  12   1  13   1  15  -1  17  -1
M  END
> <ID>
CHEBI:81883

> <NAME>
Dinoterb

> <STAR>
2

> <FORMULA>
C10H12N2O5

> <MASS>
240.21270

> <MONOISOTOPIC_MASS>
240.07462

> <CHARGE>
0

> <SMILES>
CC(C)(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O

> <INCHI>
InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3

> <INCHIKEY>
IIPZYDQGBIWLBU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1420-07-1

> <KEGG_COMPOUND_ACCESSION>
C18671

$$$$