KEGG   COMPOUND: C19214Help
Entry
C19214                      Compound                               

Name
Citrus Red No.2;
Citrus Red 2
Formula
C18H16N2O3
Exact mass
308.1161
Mol weight
308.3312
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C19214  Citrus Red No.2
BRITE hierarchy
Other DBs
CAS: 
6358-53-8
PubChem: 
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8y C     7.9100  -16.6600
            2   C8y C     7.9100  -18.0600
            3   C8x C     9.1224  -18.7600
            4   C8x C    10.3349  -18.0600
            5   C8y C    10.3349  -16.6600
            6   C8y C     9.1224  -15.9600
            7   C8x C     6.6976  -15.9600
            8   C8x C     5.4851  -16.6600
            9   C8x C     5.4851  -18.0600
            10  C8x C     6.6976  -18.7600
            11  N2b N     9.1224  -14.5602
            12  N2b N    10.3180  -13.8698
            13  C8y C    10.3180  -12.4698
            14  C8y C    11.5134  -11.7793
            15  C8x C    11.5131  -10.3793
            16  C8x C    10.3005   -9.6796
            17  C8y C     9.1051  -10.3701
            18  C8x C     9.1054  -11.7701
            19  O2a O     7.8843   -9.6656
            20  C1a C     6.6939  -10.3535
            21  O2a O    12.6926  -12.4598
            22  C1a C    13.8877  -11.7693
            23  O1a O    11.5660  -15.9490
BOND        25
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    6  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   17  19 1
            22   19  20 1
            23   14  21 1
            24   21  22 1
            25    5  23 1

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