KEGG   COMPOUND: C12412Help
Entry
C12412                      Compound                               

Name
Aquayamycin
Formula
C25H26O10
Exact mass
486.1526
Mol weight
486.4679
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 26055-63-0
PubChem: 582802
ChEBI: 31230
KNApSAcK: C00018739
3DMET: B04495
NIKKAJI: J161.360J
KCF data Show

ATOM        35
            1   O1a O    32.5686  -20.5133
            2   C1z C    31.1026  -20.5133
            3   C1a C    31.8308  -21.7806
            4   C1y C    20.2621  -14.0834
            5   C1y C    19.1356  -14.7914
            6   C1y C    19.0790  -16.1888
            7   C1x C    20.2925  -16.8653
            8   C1y C    21.4892  -16.1573
            9   O2x O    21.4722  -14.7728
            10  C8y C    22.6995  -16.8283
            11  O1a O    17.8836  -16.8989
            12  O1a O    17.8543  -14.1086
            13  C1a C    20.2505  -12.6931
            14  C1z C    29.8237  -18.2944
            15  C1z C    28.5469  -19.0322
            16  C5x C    28.5478  -20.5151
            17  C1x C    29.8258  -21.2415
            18  C1x C    31.1015  -19.0303
            19  C2y C    27.2700  -16.8094
            20  C2y C    27.2700  -18.2944
            21  C2x C    29.8278  -16.8094
            22  C2x C    28.5489  -16.0717
            23  C8x C    22.6941  -18.3037
            24  C8x C    23.8102  -18.9280
            25  C8y C    24.9168  -18.3037
            26  C5x C    26.0934  -18.9280
            27  C8y C    23.8007  -16.1852
            28  C8y C    24.9168  -16.8190
            29  C5x C    26.0839  -16.1757
            30  O1a O    23.7912  -14.7948
            31  O5x O    26.1444  -14.7853
            32  O5x O    26.0998  -20.3279
            33  O5x O    27.3361  -21.1886
            34  O1a O    31.0248  -17.5944
            35  O1a O    27.5461  -19.7225
BOND        39
            1     2   3 1 #Down
            2     2   1 1 #Up
            3     5  12 1 #Down
            4     6   7 1
            5    19  20 2
            6    20  15 1
            7    14  21 1
            8    21  22 2
            9    22  19 1
            10    4  13 1 #Up
            11    7   8 1
            12   23  24 1
            13    8   9 1
            14   24  25 2
            15    9   4 1
            16   25  26 1
            17   26  20 1
            18   23  10 2
            19   10  27 1
            20    8  10 1 #Up
            21   27  28 2
            22    4   5 1
            23   28  29 1
            24   29  19 1
            25   14  15 1
            26   27  30 1
            27   15  16 1
            28   29  31 2
            29   25  28 1
            30   16  17 1
            31   26  32 2
            32   17   2 1
            33   16  33 2
            34    2  18 1
            35   18  14 1
            36    6  11 1 #Up
            37   14  34 1 #Up
            38    5   6 1
            39   15  35 1 #Up

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