KEGG   COMPOUND: C15005
Entry
C15005                      Compound                               
Name
4-Aminoestra-1,3,5(10)-triene-3,17beta-diol
Formula
C18H25NO2
Exact mass
287.1885
Mol weight
287.3966
Structure
Other DBs
PubChem: 17396002
ChEBI: 79528
NIKKAJI: J893.839C
LinkDB
KCF data

ATOM        21
            1   C1y C    23.9411  -16.1956
            2   C1y C    22.7660  -16.8705
            3   C1z C    23.9470  -14.8461
            4   C1x C    26.3437  -16.2247
            5   C1y C    21.5967  -16.1782
            6   C1x C    22.7660  -18.2259
            7   C1x C    22.7893  -14.1595
            8   C1y C    25.1279  -14.1828
            9   C1a C    23.9411  -13.4904
            10  C1x C    26.2916  -14.8749
            11  C8y C    20.4158  -16.8590
            12  C1x C    21.6083  -14.8284
            13  C1x C    21.5850  -18.8950
            14  C8y C    20.4100  -18.2143
            15  C8x C    19.2406  -16.1782
            16  C8y C    19.2406  -18.8891
            17  C8x C    18.0017  -16.8590
            18  C8y C    17.9955  -18.2143
            19  O1a O    16.7932  -18.9264
            20  O1a O    25.1449  -12.8101
            21  N1a N    19.2594  -20.3000
BOND        24
            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   16  21 1

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