KEGG   COMPOUND: C20689Help
Entry
C20689                      Compound                               

Name
15-Demethylaclacinomycin T
Formula
C29H33NO10
Exact mass
555.2104
Mol weight
555.573
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
PubChem: 172232409
KCF data Show

ATOM        40
            1   C1y C    20.3647  -18.3797
            2   O2x O    19.1969  -17.6774
            3   C1y C    18.0047  -18.3375
            4   C1y C    17.9803  -19.7002
            5   C1y C    19.1481  -20.4026
            6   C1x C    20.3405  -19.7423
            7   C8x C    13.0663  -12.6690
            8   C8x C    13.0663  -14.0318
            9   C8y C    14.2465  -14.7131
            10  C8y C    15.4267  -14.0318
            11  C8y C    15.4267  -12.6690
            12  C8x C    14.2465  -11.9877
            13  C5x C    16.6069  -14.7131
            14  C8y C    17.7871  -14.0318
            15  C8y C    17.7871  -12.6690
            16  C5x C    16.6069  -11.9877
            17  C8y C    18.9672  -14.7131
            18  C8y C    20.1475  -14.0318
            19  C8y C    20.1475  -12.6690
            20  C8x C    18.9672  -11.9877
            21  C1y C    21.3278  -14.7131
            22  C1x C    22.5079  -14.0318
            23  C1z C    22.5079  -12.6690
            24  C1y C    21.3278  -11.9877
            25  O1a O    14.2465  -16.0759
            26  O5x O    16.6069  -16.0759
            27  O5x O    16.6069  -10.6249
            28  O1a O    18.9672  -16.0759
            29  C6a C    21.3278  -10.6249
            30  O6a O    22.4953   -9.9507
            31  O6a O    20.1351   -9.9363
            32  O1a O    23.7101  -13.3634
            33  O2a O    21.3374  -17.3497
            34  N1c N    19.1237  -21.7862
            35  O1a O    16.7697  -20.3705
            36  C1a C    16.8371  -17.6354
            37  C1a C    17.9387  -22.4425
            38  C1a C    20.2825  -22.4826
            39  C1b C    24.1981  -12.0444
            40  C1a C    24.2364  -10.8589
BOND        44
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12    7  12 2
            13   10  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   11  16 1
            18   14  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28    9  25 1
            29   13  26 2
            30   16  27 2
            31   17  28 1
            32   24  29 1 #Up
            33   29  30 1
            34   29  31 2
            35   23  32 1 #Down
            36   21  33 1 #Down
            37    1  33 1 #Up
            38    5  34 1 #Down
            39    4  35 1 #Down
            40    3  36 1 #Down
            41   34  37 1
            42   34  38 1
            43   39  40 1
            44   23  39 1 #Up

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