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
410.3735
Structure
Reaction
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
3DMET: B04502
NIKKAJI: J2.231.090I
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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