KEGG   COMPOUND: C17996
Entry
C17996                      Compound                               
Name
Istamycin C1
Formula
C19H37N5O6
Exact mass
431.2744
Mol weight
431.527
Structure
Other DBs
PubChem: 96024216
ChEBI: 81447
NIKKAJI: J122.680K
LinkDB
KCF data

ATOM        30
            1   N1c N    26.1333  -20.6572
            2   C1y C    27.3440  -19.9583
            3   C1y C    28.5828  -20.6738
            4   C1x C    29.7936  -19.9748
            5   C1y C    29.7938  -18.5767
            6   C1y C    28.5548  -17.8614
            7   C1y C    27.3442  -18.5602
            8   O2a O    28.5826  -22.0659
            9   O1a O    26.1618  -17.8772
            10  N1a N    31.0276  -17.8643
            11  O2a O    28.5550  -16.4744
            12  C1y C    29.7722  -15.7718
            13  O2x O    30.9690  -16.4633
            14  C1y C    32.1798  -15.7646
            15  C1x C    32.1801  -14.3665
            16  C1x C    30.9833  -13.6753
            17  C1y C    29.7725  -14.3737
            18  C1b C    33.4088  -16.4745
            19  N1a N    28.5483  -13.6665
            20  N1b N    33.4082  -17.9009
            21  C5a C    24.9088  -19.9507
            22  C1b C    23.6848  -20.6581
            23  N1b N    22.4590  -19.9516
            24  C1a C    26.1334  -22.0233
            25  C1a C    29.8083  -22.7736
            26  O5a O    24.9089  -18.5948
            27  C1b C    34.6120  -18.5964
            28  C4a C    21.2512  -20.6499
            29  O4a O    20.0441  -19.9538
            30  C1a C    34.6120  -20.0196
BOND        31
            1     2   1 1 #Up
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   7 1
            8     3   8 1 #Down
            9     7   9 1 #Up
            10    5  10 1 #Up
            11    6  11 1 #Down
            12   12  11 1 #Down
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   14  18 1 #Up
            20   17  19 1 #Down
            21   18  20 1
            22    1  21 1
            23   21  22 1
            24   22  23 1
            25    1  24 1
            26    8  25 1
            27   21  26 2
            28   20  27 1
            29   23  28 1
            30   28  29 2
            31   27  30 1

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