KEGG   COMPOUND: C12417Help
Entry
C12417                      Compound                               

Name
Auraviketone
Formula
C21H16O8
Exact mass
396.0845
Mol weight
396.3469
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Enzyme
1.1.1.362       5.5.1.23
Other DBs
PubChem: 582807
ChEBI: 31245
3DMET: B05636
NIKKAJI: J2.783.342J
KCF data Show

ATOM        29
            1   C1z C    29.3351  -17.4649
            2   O1a O    30.5269  -18.1622
            3   C1a C    30.5172  -16.7828
            4   C8x C    25.7593  -16.7569
            5   C8x C    19.8101  -17.4293
            6   C8x C    20.9891  -16.7446
            7   C8y C    22.1872  -17.4388
            8   C5x C    23.3760  -16.7543
            9   C8y C    24.5741  -17.4483
            10  C8x C    19.8060  -19.0269
            11  C8y C    20.9891  -19.7113
            12  C8y C    22.1778  -19.0269
            13  C5x C    23.3760  -19.7211
            14  C8y C    24.5647  -19.0364
            15  C8y C    25.7531  -19.7303
            16  O1a O    20.9796  -21.0903
            17  O5x O    23.3665  -21.0997
            18  O1a O    25.7436  -21.1092
            19  O5x O    23.3775  -15.3846
            20  C8y C    26.9418  -18.8272
            21  C8y C    26.9513  -17.4483
            22  C1y C    28.1528  -16.7671
            23  C1x C    29.3256  -18.8436
            24  C5x C    28.1336  -19.5247
            25  O5x O    28.1244  -20.9036
            26  C7a C    28.1623  -15.3882
            27  O6a O    26.9705  -14.6907
            28  O7a O    29.3541  -14.7071
            29  C1a C    30.5423  -15.4002
BOND        32
            1    14  15 1
            2    15  20 2
            3     8   9 1
            4    11  16 1
            5     9   4 1
            6    13  17 2
            7     5   6 2
            8    15  18 1
            9     7  12 2
            10    9  14 2
            11    5  10 1
            12    8  19 2
            13    4  21 2
            14    1   2 1 #Down
            15   10  11 2
            16    6   7 1
            17   11  12 1
            18   20  21 1
            19   21  22 1
            20   22   1 1
            21    1  23 1
            22   23  24 1
            23   24  20 1
            24   24  25 2
            25   12  13 1
            26   22  26 1
            27    7   8 1
            28   26  27 2
            29   13  14 1
            30   26  28 1
            31    1   3 1 #Up
            32   28  29 1

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