KEGG   COMPOUND: C14959
Entry
C14959                      Compound                               
Name
Estra-1,3,5(10),16-tetraen-3-ol benzoate
Formula
C25H26O2
Exact mass
358.1933
Mol weight
358.4727
Structure
Other DBs
PubChem: 17395957
ChEBI: 79483
NIKKAJI: J2.790.791A
LinkDB
KCF data

ATOM        27
            1   C1y C    24.4873  -16.5606
            2   C1y C    23.3060  -17.2390
            3   C1z C    24.4931  -15.2040
            4   C1x C    26.9021  -16.5898
            5   C1y C    22.1306  -16.5430
            6   C1x C    23.3060  -18.6014
            7   C1x C    23.3294  -14.5139
            8   C2x C    25.6801  -14.5373
            9   C1a C    24.4873  -13.8414
            10  C2x C    26.8498  -15.2331
            11  C8y C    20.9436  -17.2273
            12  C1x C    22.1423  -15.1863
            13  C1x C    22.1189  -19.2739
            14  C8y C    20.9378  -18.5897
            15  C8x C    19.7624  -16.5430
            16  C8x C    19.7624  -19.2680
            17  C8x C    18.5170  -17.2273
            18  C8y C    18.5811  -18.5897
            19  O7a O    17.3940  -19.2680
            20  C7a C    16.1515  -18.5432
            21  C8y C    14.9471  -19.2315
            22  O6a O    16.1578  -17.1501
            23  C8x C    13.7703  -18.5452
            24  C8x C    12.5548  -19.2399
            25  C8x C    12.5487  -20.6399
            26  C8x C    13.7254  -21.3262
            27  C8x C    15.0109  -20.6315
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   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   18  19 1
            19    7  12 1
            20    8  10 2
            21   13  14 1
            22   17  18 1
            23   19  20 1
            24   20  21 1
            25   20  22 2
            26   21  23 2
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   21  27 1

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