KEGG   COMPOUND: C19500Help
Entry
C19500                      Compound                               

Name
Picene;
Benzo[a]chrysene
Formula
C22H14
Exact mass
278.1096
Mol weight
278.3466
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19500  Picene
BRITE hierarchy
Other DBs
CAS: 213-46-7
PubChem: 124490172
ChEBI: 33090
KCF data Show

ATOM        22
            1   C8y C    12.6700  -19.1800
            2   C8y C    12.6700  -20.5800
            3   C8x C    13.8824  -21.2800
            4   C8x C    15.0949  -20.5800
            5   C8y C    15.0949  -19.1800
            6   C8y C    13.8824  -18.4800
            7   C8x C    11.4576  -18.4800
            8   C8x C    10.2451  -19.1800
            9   C8x C    10.2451  -20.5800
            10  C8x C    11.4576  -21.2800
            11  C8y C    16.3073  -18.4800
            12  C8y C    16.3073  -17.0800
            13  C8x C    15.0949  -16.3800
            14  C8x C    13.8824  -17.0800
            15  C8x C    17.5197  -19.1800
            16  C8x C    18.7322  -18.4800
            17  C8y C    18.7322  -17.0800
            18  C8y C    17.5197  -16.3800
            19  C8x C    19.9446  -16.3800
            20  C8x C    19.9446  -14.9800
            21  C8x C    18.7322  -14.2800
            22  C8x C    17.5197  -14.9800
BOND        26
            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    5  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    6  14 1
            17   11  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 2
            23   19  20 1
            24   20  21 2
            25   21  22 1
            26   18  22 2

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