KEGG   COMPOUND: C23116
Entry
C23116                      Compound                               
Name
Ascocorynin;
4-Hydroxy-2-(4-hydroxyphenyl)-3,6-dioxo-5-phenylcyclohexa-1,4-dien-1-olate
Formula
C18H12O5
Exact mass
308.0685
Mol weight
308.28
Structure
Reaction
Pathway
map00360  Phenylalanine metabolism
Enzyme
Other DBs
PubChem: 522705632
LinkDB
KCF data

ATOM        23
            1   C2y C    17.4019  -15.2353
            2   C2y C    17.4019  -16.6330
            3   C5x C    18.5900  -17.3319
            4   C2y C    19.8479  -16.6330
            5   C2y C    19.8479  -15.2353
            6   C5x C    18.5900  -14.5364
            7   C8y C    16.2138  -17.3319
            8   O1a O    16.2138  -14.5364
            9   O5x O    18.5900  -13.1387
            10  O1a O    21.0360  -17.3319
            11  O5x O    18.5900  -18.7296
            12  C8y C    21.0360  -14.5364
            13  C8x C    15.0257  -16.6330
            14  C8x C    13.7678  -17.3319
            15  C8y C    13.7678  -18.7296
            16  C8x C    14.9559  -19.4285
            17  C8x C    16.2138  -18.7296
            18  C8x C    22.2940  -15.2353
            19  C8x C    23.4820  -14.5364
            20  C8x C    23.4820  -13.1387
            21  C8x C    22.2940  -12.4398
            22  C8x C    21.0360  -13.1387
            23  O1a O    12.5497  -19.4198
BOND        25
            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    4  10 1
            11    3  11 2
            12    5  12 1
            13    7  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18    7  17 1
            19   12  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   12  22 1
            25   15  23 1

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