KEGG   COMPOUND: C14576
Entry
C14576                      Compound                               
Name
6-Hydroxybenzo[a]pyrene
Formula
C20H12O
Exact mass
268.0888
Mol weight
268.3087
Structure
Other DBs
CAS: 33953-73-0
PubChem: 17395576
ChEBI: 34470
NIKKAJI: J36.074K
LinkDB
KCF data

ATOM        21
            1   C8y C    24.0192  -18.1370
            2   C8y C    25.2097  -17.4367
            3   C8y C    22.8287  -17.4367
            4   C8y C    24.0192  -19.5375
            5   C8y C    25.2097  -16.0362
            6   C8y C    26.4701  -18.1370
            7   C8y C    21.6382  -18.1370
            8   C8x C    22.8287  -16.0362
            9   C8y C    22.8287  -20.2378
            10  C8x C    25.2097  -20.2378
            11  C8x C    24.0192  -15.3359
            12  C8x C    26.4701  -15.3359
            13  C8x C    26.4701  -19.5375
            14  C8x C    27.6606  -17.4367
            15  C8y C    21.6382  -19.5375
            16  C8x C    20.3778  -17.4367
            17  C8x C    27.6606  -16.0362
            18  C8x C    20.4478  -20.2378
            19  C8x C    19.1874  -18.1370
            20  C8x C    19.1874  -19.5375
            21  O1a O    22.8286  -21.6300
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16   12  17 1
            17   15  18 1
            18   16  19 2
            19   18  20 2
            20    8  11 2
            21    9  15 2
            22   10  13 1
            23   14  17 2
            24   19  20 1
            25    9  21 1

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