KEGG   COMPOUND: C12422
Entry
C12422                      Compound                               
Name
Methyl aklanonate;
Aklanonic acid methyl ester;
AAME;
Methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate
Formula
C22H18O8
Exact mass
410.1002
Mol weight
410.37
Structure
Reaction
R06680 R06681
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00781  Nogalavinone/aklavinone biosynthesis, deoxynogalonate/deoxyaklanonate => nogalavinone/aklavinone
Enzyme
2.1.1.288       5.5.1.23
Other DBs
PubChem: 582812
ChEBI: 75311
NIKKAJI: J2.231.090I
LinkDB
KCF data

ATOM        30
            1   C8x C    22.6495   -8.5875
            2   C8x C    22.6495  -10.1875
            3   C8y C    23.8543  -10.8832
            4   C8y C    25.0594  -10.1875
            5   C8y C    25.0594   -8.5875
            6   C8x C    23.8543   -7.8918
            7   C5x C    26.2643  -10.8832
            8   C8y C    27.4692  -10.1875
            9   C8y C    27.4692   -8.5875
            10  C5x C    26.2643   -7.8918
            11  C8y C    28.6741  -10.8832
            12  C8y C    29.8790  -10.1875
            13  C8y C    29.8790   -8.5875
            14  C8x C    28.6741   -7.8918
            15  C1b C    31.0893   -7.8918
            16  C7a C    32.2943   -8.5875
            17  O7a O    33.4992   -7.8918
            18  C5a C    31.0893  -10.8832
            19  C1b C    32.2943  -10.1875
            20  C5a C    33.4992  -10.8832
            21  C1b C    34.7040  -10.1875
            22  O5a O    31.0907  -12.2743
            23  O5a O    33.4992  -12.2745
            24  O6a O    32.3164   -9.4346
            25  O5x O    26.2643  -12.2745
            26  O1a O    23.8543  -12.2743
            27  O1a O    28.6741  -12.2742
            28  C1a C    35.8972  -10.8761
            29  O5x O    26.2646   -6.5172
            30  C1a C    34.7426   -8.6097
BOND        32
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   13  15 1
            18   15  16 1
            19   16  17 1
            20   12  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   18  22 2
            25   20  23 2
            26   16  24 2
            27    7  25 2
            28    3  26 1
            29   11  27 1
            30   21  28 1
            31   10  29 2
            32   17  30 1

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