KEGG   COMPOUND: C06777
Entry
C06777                      Compound                               

Name
Pradimicinone I
Formula
C28H23NO11
Exact mass
549.1271
Mol weight
549.4823
Structure
Other DBs
CAS: 116276-03-0
PubChem: 8997
ChEBI: 8352
KNApSAcK: C00016803
NIKKAJI: J441.916B
KCF data

ATOM        40
            1   C8y C    29.9312  -21.4145
            2   C8y C    31.2148  -20.7318
            3   C8y C    29.9719  -22.8092
            4   C8y C    28.7932  -20.7027
            5   C8y C    32.4111  -21.4495
            6   C8y C    31.2382  -19.3372
            7   C8x C    28.7699  -23.5036
            8   C1y C    31.1741  -23.5329
            9   C8y C    27.5736  -21.3911
            10  O1a O    28.7815  -19.3022
            11  C1y C    32.3994  -22.8443
            12  C8x C    33.7007  -20.7785
            13  C8y C    32.4636  -18.6603
            14  O1a O    30.0243  -18.6310
            15  C8y C    27.5619  -22.7916
            16  O1a O    31.1624  -24.9334
            17  C5x C    26.3597  -20.6851
            18  O1a O    33.6015  -23.5445
            19  C8y C    33.6598  -19.3837
            20  C5a C    32.4578  -17.2539
            21  C5x C    26.3481  -23.4919
            22  C8y C    25.1401  -21.3796
            23  O5x O    26.4181  -19.2788
            24  C1a C    34.8678  -18.6661
            25  N1b N    33.6658  -16.5478
            26  O5a O    31.2323  -16.5536
            27  C8y C    25.1344  -22.7800
            28  O5x O    26.3364  -24.8924
            29  C8x C    23.9322  -20.6793
            30  C1c C    33.6598  -15.1531
            31  C8y C    23.9322  -23.4861
            32  C8y C    22.7127  -21.3796
            33  C6a C    34.8678  -14.4471
            34  C1a C    32.4461  -14.4528
            35  C8x C    22.7127  -22.7800
            36  O1a O    23.9147  -24.8924
            37  O2a O    21.4931  -20.6793
            38  O6a O    36.0700  -15.1473
            39  O6a O    34.8620  -13.0525
            40  C1a C    20.2792  -21.3737
BOND        44
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 1 #Down
            18   12  19 2
            19   13  20 1
            20   15  21 1
            21   17  22 1
            22   17  23 2
            23   19  24 1
            24   20  25 1
            25   20  26 2
            26   21  27 1
            27   21  28 2
            28   22  29 1
            29   25  30 1
            30   27  31 1
            31   29  32 2
            32   30  33 1
            33   30  34 1
            34   31  35 2
            35   31  36 1
            36   32  37 1
            37   33  38 1
            38   33  39 2
            39   37  40 1
            40    8  11 1
            41    9  15 2
            42   13  19 1
            43   22  27 2
            44   32  35 1

» Japanese version

DBGET integrated database retrieval system