KEGG   COMPOUND: C02081Help
Entry
C02081                      Compound                               

Name
Streptonigrin
Formula
C25H22N4O8
Exact mass
506.1438
Mol weight
506.4642
Structure
Mol fileKCF fileDB search
Remark
Same as: D05931
Other DBs
CAS: 3930-19-6
PubChem: 5167
ChEBI: 9287
ChEMBL: CHEMBL11417
KNApSAcK: C00026485
NIKKAJI: J2.203I
KCF data Show

ATOM        37
            1   C8y C    24.8746  -13.8720
            2   C8y C    24.8618  -12.4739
            3   C8y C    23.6751  -14.5777
            4   C8y C    26.0867  -14.5648
            5   C8y C    23.6560  -11.7941
            6   C8x C    26.0676  -11.7684
            7   C8y C    23.6751  -15.9693
            8   N1a N    22.4567  -13.8914
            9   C8y C    26.0996  -15.9630
            10  C1a C    27.2860  -13.8592
            11  C8y C    23.6368  -10.3960
            12  O1a O    22.4567  -12.4996
            13  C8x C    26.0610  -10.3703
            14  C8y C    22.4695  -16.6684
            15  N5x N    24.8938  -16.6619
            16  C6a C    27.3117  -16.6556
            17  C8y C    24.8424   -9.6905
            18  O2a O    22.4182   -9.7162
            19  N5x N    21.2380  -15.9630
            20  C8x C    22.4823  -18.0922
            21  O6a O    27.3117  -18.0537
            22  O6a O    28.5110  -15.9501
            23  O2a O    24.8233   -8.2922
            24  C1a C    21.2189  -10.4280
            25  C8y C    20.0194  -16.6813
            26  C8x C    21.2509  -18.7977
            27  C1a C    26.0225   -7.5804
            28  C8y C    20.0194  -18.0922
            29  C5x C    18.7945  -15.9821
            30  C5x C    18.7945  -18.8042
            31  C2y C    17.5887  -16.6813
            32  O5x O    18.7881  -14.5840
            33  C2y C    17.5887  -18.0922
            34  O5x O    18.7881  -20.1958
            35  N1a N    16.3765  -15.9821
            36  O2a O    16.3765  -18.7785
            37  C1a C    15.1707  -18.0794
BOND        40
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    7  15 2
            15    9  16 1
            16   11  17 2
            17   11  18 1
            18   14  19 2
            19   14  20 1
            20   16  21 1
            21   16  22 2
            22   17  23 1
            23   18  24 1
            24   19  25 1
            25   20  26 2
            26   23  27 1
            27   25  28 2
            28   25  29 1
            29   28  30 1
            30   29  31 1
            31   29  32 2
            32   30  33 1
            33   30  34 2
            34   31  35 1
            35   33  36 1
            36   36  37 1
            37    9  15 1
            38   13  17 1
            39   26  28 1
            40   31  33 2

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