KEGG   COMPOUND: C12423Help
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
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
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 All DBs
KCF data Show

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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