KEGG   COMPOUND: C14441
Entry
C14441                      Compound                               
Name
16-Ketoestrone;
3-Hydroxy-1,3,5(10)-estratriene-16,17-dione
Formula
C18H20O3
Exact mass
284.1412
Mol weight
284.3496
Structure
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C14441  16-Ketoestrone
Other DBs
CAS: 1228-73-5
PubChem: 17395441
ChEBI: 34166
LIPIDMAPS: LMST02010048
NIKKAJI: J2.292.550D
LinkDB
KCF data

ATOM        21
            1   C8x C    24.6710  -17.9233
            2   C8y C    24.6710  -19.2838
            3   C8x C    25.8492  -19.9639
            4   C8y C    27.0273  -19.2838
            5   C8y C    27.0273  -17.9233
            6   C8x C    25.8492  -17.2432
            7   C1x C    28.2055  -19.9639
            8   C1x C    29.3836  -19.2838
            9   C1y C    29.3836  -17.9233
            10  C1y C    28.2055  -17.2432
            11  C1y C    30.5619  -17.2432
            12  C1z C    30.5619  -15.8827
            13  C1x C    29.3836  -15.2025
            14  C1x C    28.2055  -15.8827
            15  C1x C    32.9181  -17.2432
            16  C5x C    32.9181  -15.8827
            17  C5x C    31.7399  -15.2025
            18  C1a C    30.5889  -14.5224
            19  O5x O    31.6751  -13.8421
            20  O1a O    23.4513  -19.9882
            21  O5x O    34.1167  -15.1907
BOND        24
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 2
            23    2  20 1
            24   16  21 2

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