KEGG   COMPOUND: C12424Help
Entry
C12424                      Compound                               

Name
Aklavinone
Formula
C22H20O8
Exact mass
412.1158
Mol weight
412.3894
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       1.14.13.180     2.4.1.326
Other DBs
CAS: 16234-96-1
PubChem: 582814
ChEBI: 31181
KNApSAcK: C00043257
PDB-CCD: VAK[PDBj]
3DMET: B04504
NIKKAJI: J14.493B
KCF data Show

ATOM        30
            1   C1z C    32.2356  -19.7994
            2   O1a O    33.3916  -20.4628
            3   C1b C    33.3916  -19.1172
            4   C1a C    33.3819  -17.7807
            5   C8x C    28.6687  -19.1009
            6   C8x C    22.6924  -19.7708
            7   C8x C    23.8959  -19.0886
            8   C8y C    25.0900  -19.7805
            9   C5x C    26.2841  -19.0983
            10  C8y C    27.4782  -19.7900
            11  C8x C    22.6980  -21.2929
            12  C8y C    29.8566  -19.7994
            13  C1y C    31.0507  -19.1077
            14  C8y C    23.8959  -21.9752
            15  C8y C    25.0806  -21.3026
            16  C5x C    26.2652  -21.9849
            17  C8y C    27.4782  -21.3026
            18  C8y C    28.6534  -21.9943
            19  C8y C    29.9174  -21.3121
            20  C1y C    31.0415  -22.0038
            21  C1x C    32.2356  -21.3215
            22  O1a O    23.8865  -23.3591
            23  O5x O    26.2558  -23.3683
            24  O1a O    28.6439  -23.3780
            25  O1a O    31.0415  -23.3780
            26  O5x O    26.2182  -17.7524
            27  C7a C    31.0533  -17.7621
            28  O6a O    29.8955  -17.0919
            29  O7a O    32.2135  -17.0958
            30  C1a C    32.2156  -15.7596
BOND        33
            1     8   9 1
            2    15  16 1
            3     1   3 1 #Up
            4    16  17 1
            5     9  10 1
            6    17  18 1
            7    10   5 1
            8    18  19 2
            9     1   2 1 #Down
            10   19  20 1
            11    6  11 1
            12   20  21 1
            13    6   7 2
            14   14  22 1
            15    5  12 2
            16   16  23 2
            17    3   4 1
            18   18  24 1
            19   12  13 1
            20   20  25 1 #Down
            21    8  15 2
            22   10  17 2
            23   12  19 1
            24   13   1 1
            25    9  26 2
            26    1  21 1
            27    7   8 1
            28   13  27 1 #Up
            29   11  14 2
            30   27  28 2
            31   27  29 1
            32   14  15 1
            33   29  30 1

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