Marvin  03030616202D          

 19 20  0  0  0  0            999 V2000
   -1.2033   -0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2033   -1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888   -0.1954    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.9178   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9178   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2256   -0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888    0.6296    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6323   -0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2256   -1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888   -2.6704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323   -1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9401   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6546   -0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0835   -0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7980   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124   -0.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2269   -0.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2   3   1   8  -1
M  END
> <ID>
CHEBI:28362

> <NAME>
2-heptyl-4-hydroxyquinoline N-oxide

> <DEFINITION>
An inhibitor of the mitochondrial respiratory chain at cytochrome bc1 and of photosynthetic electron flow immediately before cytochrome b559.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1103; CHEBI:43309; CHEBI:43264; CHEBI:19587

> <SYNONYM>
HQNO; HOQNO; 2-heptyl-4-quinolinol 1-oxide; 2-Heptyl-4-hydroxyquinoline-N-oxide; 2-heptyl-4-hydroxyquinoline N-oxide; 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE; 2-(n-heptyl)-4-hydroxyquinoline N-oxide

> <IUPAC_NAME>
2-heptylquinolin-4-ol 1-oxide

> <FORMULA>
C16H21NO2

> <MASS>
259.34348

> <MONOISOTOPIC_MASS>
259.15723

> <CHARGE>
0

> <SMILES>
CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]

> <INCHI>
InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3

> <INCHIKEY>
NZPACTGCRWDXCJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1466419

> <CAS_REGISTRY_NUMBER>
341-88-8

> <CHEMIDPLUS>
341-88-8

> <DRUGBANK_ACCESSION>
DB07918

> <KEGG_COMPOUND_ACCESSION>
C04284

> <KNAPSACK_ACCESSION>
C00026381

> <PDBECHEM_ACCESSION>
HQO

$$$$