KEGG   COMPOUND: C16452Help
Entry
C16452                      Compound                               

Name
N'-Nitrosonornicotine;
NNN
Formula
C9H11N3O
Exact mass
177.0902
Mol weight
177.2031
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C16452  N'-Nitrosonornicotine
BRITE hierarchy
Other DBs
CAS: 16543-55-8
PubChem: 47205748
ChEBI: 80502
ChEMBL: CHEMBL434108
NIKKAJI: J2.745F
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8x C    14.1400   -9.1000
            2   C8x C    14.1400  -10.5000
            3   N5x N    15.3524  -11.2000
            4   C8x C    16.5649  -10.5000
            5   C8y C    16.5649   -9.1000
            6   C8x C    15.3524   -8.4000
            7   C1y C    17.7960   -8.3890
            8   N1y N    19.0656   -8.9542
            9   C1x C    19.9955   -7.9213
            10  C1x C    19.3006   -6.7178
            11  C1x C    17.9412   -7.0068
            12  N2b N    19.3568  -10.3237
            13  O3a O    20.7076  -10.7632
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 1
            13    8  12 1
            14   12  13 2

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