KEGG   COMPOUND: C14590
Entry
C14590                      Compound                               
Name
Estra-1,3,5(10),6-tetraen-3,17beta-diol;
6-Dehydroestradiol
Formula
C18H22O2
Exact mass
270.162
Mol weight
270.3661
Structure
Other DBs
CAS: 7291-41-0
PubChem: 17395590
ChEBI: 62850
NIKKAJI: J112.451J
LinkDB
KCF data

ATOM        20
            1   C8x C    19.2772  -18.8293
            2   C8y C    19.2772  -20.1895
            3   C8x C    20.4551  -20.8695
            4   C8y C    21.6330  -20.1895
            5   C8y C    21.6330  -18.8293
            6   C8x C    20.4551  -18.1493
            7   C2x C    22.8109  -20.8695
            8   C2x C    23.9888  -20.1895
            9   C1y C    23.9888  -18.8293
            10  C1y C    22.8109  -18.1493
            11  C1y C    25.1668  -18.1493
            12  C1z C    25.1668  -16.7891
            13  C1x C    23.9888  -16.1091
            14  C1x C    22.8109  -16.7891
            15  C1x C    27.5225  -18.1493
            16  C1x C    27.5225  -16.7891
            17  C1y C    26.3446  -16.1091
            18  C1a C    25.1938  -15.4291
            19  O1a O    26.3498  -14.7490
            20  O1a O    18.0577  -20.8938
BOND        23
            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 2
            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 1 #Up
            23    2  20 1

» Japanese version

DBGET integrated database retrieval system