KEGG   COMPOUND: C14926
Entry
C14926                      Compound                               
Name
3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one;
2-Morpholinomethylestrone
Formula
C23H31NO3
Exact mass
369.2304
Mol weight
369.4971
Structure
Other DBs
PubChem: 17395924
ChEBI: 79451
NIKKAJI: J861.483K
LinkDB
KCF data

ATOM        27
            1   C1y C    24.4376  -16.4537
            2   C1y C    23.2583  -17.1477
            3   C1z C    24.4437  -15.0841
            4   C1x C    26.8083  -16.4660
            5   C1y C    22.0730  -16.4660
            6   C1x C    23.2337  -18.4990
            7   C1x C    23.2461  -14.4085
            8   C5x C    25.6353  -14.4025
            9   C1a C    24.3515  -13.6286
            10  C1x C    26.8143  -15.0963
            11  C8y C    20.9060  -17.1539
            12  C1x C    22.0606  -15.1026
            13  C1x C    22.0853  -19.1807
            14  O5x O    25.6353  -13.1332
            15  C8y C    20.9060  -18.5051
            16  C8x C    19.7329  -16.4844
            17  C8x C    19.7329  -19.1869
            18  C8y C    18.5782  -17.1539
            19  C8y C    18.5782  -18.5051
            20  O1a O    17.4175  -19.1684
            21  C1b C    17.3424  -16.4417
            22  N1y N    16.1402  -17.1371
            23  C1x C    14.9551  -16.4542
            24  C1x C    13.7433  -17.1552
            25  O2x O    13.7444  -18.5552
            26  C1x C    14.9295  -19.2381
            27  C1x C    16.1414  -18.5371
BOND        31
            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    8  14 2
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1
            24   18  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   22  27 1

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