KEGG   COMPOUND: C15163
Entry
C15163                      Compound                               
Name
17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol
Formula
C26H33NO2
Exact mass
391.2511
Mol weight
391.5457
Structure
Other DBs
PubChem: 17396160
ChEBI: 79681
NIKKAJI: J2.793.219C
LinkDB
KCF data

ATOM        29
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1z C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1x C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  O1a O    21.1084  -22.1040
            20  O1a O    29.3656  -15.9605
            21  C1b C    30.6124  -16.6600
            22  N1b N    31.8249  -17.3600
            23  C1b C    33.0373  -16.6600
            24  C8y C    34.2497  -17.3600
            25  C8x C    34.2497  -18.7599
            26  C8x C    35.4622  -19.4599
            27  C8x C    36.6746  -18.7599
            28  C8x C    36.6746  -17.3600
            29  C8x C    35.4622  -16.6600
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 1
            23    8  20 1 #Up
            24    8  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1

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