KEGG   COMPOUND: C19944
Entry
C19944                      Compound                               

Name
3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione;
Secophenol
Formula
C19H24O3
Exact mass
300.1725
Mol weight
300.3921
Structure
Reaction
Pathway
map00984  Steroid degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
Other DBs
CAS: 2394-69-6
PubChem: 135626410
LinkDB
KCF data

ATOM        22
            1   C1y C    13.6133  -12.8472
            2   C1z C    13.6073  -11.5010
            3   C1y C    12.4585  -13.5225
            4   C1x C    15.9659  -12.8472
            5   C5x C    14.7750  -10.8140
            6   C1x C    12.4397  -10.8315
            7   C1a C    13.5928  -10.1183
            8   C5x C    11.2721  -12.8589
            9   C1b C    12.4644  -14.8733
            10  C1x C    15.9542  -11.4893
            11  O5x O    14.7690   -9.4154
            12  C1x C    11.2662  -11.5140
            13  O5x O    10.1111  -13.6002
            14  C1b C    11.2966  -15.5557
            15  C8y C    11.2850  -16.9004
            16  C8x C    12.4701  -17.5642
            17  C8y C    10.1231  -17.5758
            18  C8y C    12.4701  -18.9278
            19  C8x C    10.1348  -18.9338
            20  C8x C    11.3083  -19.6090
            21  O1a O    13.6504  -19.6016
            22  C1a C     8.9115  -16.8855
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    8  13 2
            13    9  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 2
            17   16  18 2
            18   17  19 1
            19   18  20 1
            20    5  10 1
            21    8  12 1
            22   19  20 2
            23   18  21 1
            24   17  22 1

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