KEGG   COMPOUND: C19944Help
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
Mol fileKCF fileDB search
Reaction
Pathway
map00984  Steroid degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
Other DBs
CAS: 2394-69-6
PubChem: 135626410
LinkDB All DBs
KCF data Show

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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