null
  CDK     0224162334
null
 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4289   10.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    9.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    9.2411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    8.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    4.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    3.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    3.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    4.2187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521    4.4736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9  4  1  0  0  0  0 
 10  7  1  4  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 12  1  0  0  0  0 
 13 17  1  0  0  0  0 
  5 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:111338

> <NAME>
5-[(5-amino-1-tetrazolyl)iminomethyl]-2-ethoxyphenol

> <STAR>
2

> <FORMULA>
C10H12N6O2

> <MASS>
248.242

> <MONOISOTOPIC_MASS>
248.10217

> <CHARGE>
0

> <SMILES>
CCOC1=C(C=C(C=C1)C=NN2C(=NN=N2)N)O

> <INCHI>
InChI=1S/C10H12N6O2/c1-2-18-9-4-3-7(5-8(9)17)6-12-16-10(11)13-14-15-16/h3-6,17H,2H2,1H3,(H2,11,13,15)

> <INCHIKEY>
FBUPUTUNMNFNGW-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-22794

$$$$