KEGG   COMPOUND: C12423
Entry
C12423                      Compound                               

Name
Aklaviketone;
Methyl (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
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
1.1.1.362       5.5.1.23
Other DBs
CAS: 116235-59-7
PubChem: 582813
ChEBI: 75244
KNApSAcK: C00017921
3DMET: B04503
NIKKAJI: J228.004C
LinkDB
KCF data

ATOM        30
            1   C8x C    11.9000  -18.2000
            2   C8x C    11.9000  -19.6000
            3   C8y C    13.1124  -20.3000
            4   C8y C    14.3249  -19.6000
            5   C8y C    14.3249  -18.2000
            6   C8x C    13.1124  -17.5000
            7   C5x C    15.5373  -20.3000
            8   C8y C    16.7497  -19.6000
            9   C8y C    16.7497  -18.2000
            10  C5x C    15.5373  -17.5000
            11  C8y C    17.9622  -20.3000
            12  C8y C    19.1746  -19.6000
            13  C8y C    19.1746  -18.2000
            14  C8x C    17.9622  -17.5000
            15  C5x C    20.3870  -20.3000
            16  C1x C    21.5995  -19.6000
            17  C1z C    21.5995  -18.2000
            18  C1y C    20.3870  -17.5000
            19  O5x O    15.5373  -16.1000
            20  O5x O    15.5373  -21.7000
            21  O5x O    20.3870  -21.6999
            22  O1a O    13.1124  -21.6998
            23  O1a O    17.9622  -21.6997
            24  C7a C    20.3870  -16.1001
            25  C1b C    22.8346  -17.4866
            26  O1a O    22.8347  -19.1233
            27  C1a C    24.0419  -18.1834
            28  O6a O    19.1618  -15.3926
            29  O7a O    21.5867  -15.4074
            30  C1a C    22.7758  -16.0941
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   13  18 1
            22   10  19 2
            23    7  20 2
            24   15  21 2
            25    3  22 1
            26   11  23 1
            27   18  24 1 #Up
            28   17  25 1 #Up
            29   17  26 1 #Down
            30   25  27 1
            31   24  28 2
            32   24  29 1
            33   29  30 1

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