KEGG   COMPOUND: C23064
Entry
C23064                      Compound                               
Name
Didemethylasterriquinone D;
3,6-Dihydroxy-2,5-diindol-3'-yl-1,4-benzoquinone
Formula
C22H14N2O4
Exact mass
370.0954
Mol weight
370.36
Structure
Reaction
R13526 R13528
Pathway
map00380  Tryptophan metabolism
Enzyme
6.4.1.12
Other DBs
CAS: 78860-40-9
PubChem: 513131715
LinkDB
KCF data

ATOM        28
            1   C2y C    14.2100  -14.7000
            2   C2y C    14.2100  -16.1000
            3   C5x C    15.4224  -16.8000
            4   C2y C    16.6349  -16.1000
            5   C2y C    16.6349  -14.7000
            6   C5x C    15.4224  -14.0000
            7   C8y C    12.9976  -16.8000
            8   O1a O    12.9976  -14.0000
            9   O5x O    15.4224  -12.6002
            10  C8y C    17.8660  -13.9890
            11  O1a O    17.8660  -16.8110
            12  O5x O    15.4224  -18.1998
            13  C8y C    11.7374  -16.2388
            14  C8y C    10.8143  -17.2639
            15  N4x N    11.5039  -18.4586
            16  C8x C    12.8532  -18.1719
            17  C8x C    19.1356  -14.5542
            18  N4x N    20.0655  -13.5213
            19  C8y C    19.3706  -12.3178
            20  C8y C    18.0112  -12.6068
            21  C8x C    11.3049  -14.9073
            22  C8x C     9.9355  -14.6161
            23  C8x C     9.0124  -15.6411
            24  C8x C     9.4449  -16.9727
            25  C8x C    19.8031  -10.9863
            26  C8x C    18.8663   -9.9459
            27  C8x C    17.5069  -10.2350
            28  C8x C    17.0744  -11.5665
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     1   8 1
            9     6   9 2
            10    5  10 1
            11    4  11 1
            12    3  12 2
            13    7  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 1
            17    7  16 2
            18   10  17 2
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   10  20 1
            23   13  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   14  24 1
            28   19  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   20  28 1

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