KEGG   COMPOUND: C15159
Entry
C15159                      Compound                               
Name
3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone
Formula
C20H30O4
Exact mass
334.2144
Mol weight
334.4498
Structure
Other DBs
PubChem: 17396156
ChEBI: 79677
NIKKAJI: J2.793.193F
LinkDB
KCF data

ATOM        24
            1   C2y C    24.3600  -25.9700
            2   C7x C    24.3600  -24.6400
            3   O6a O    25.5500  -23.9400
            4   C1x C    23.1476  -26.6700
            5   C1y C    20.7900  -26.6700
            6   C1y C    19.6700  -25.9700
            7   C1y C    21.9800  -25.9700
            8   C1x C    20.7900  -28.0700
            9   C1z C    18.4800  -26.6700
            10  C1x C    19.6700  -24.6400
            11  C1z C    21.9800  -24.6400
            12  C1x C    19.6700  -28.6300
            13  C1y C    18.4800  -28.0000
            14  C1x C    17.3600  -25.9700
            15  C1a C    18.4800  -25.0600
            16  C1x C    20.7900  -23.9400
            17  O7x O    23.1700  -23.9400
            18  C1a C    21.9800  -23.0300
            19  C1x C    17.3600  -28.6300
            20  C1x C    16.1700  -26.6700
            21  C1y C    16.1700  -28.0000
            22  O1a O    14.9800  -28.7000
            23  C2b C    25.5724  -26.6700
            24  O1a O    26.7679  -25.9796
BOND        27
            1     1   2 1
            2     2   3 2
            3     1   4 1
            4     5   6 1
            5     5   7 1
            6     5   8 1
            7     6   9 1
            8     6  10 1
            9     7  11 1
            10    8  12 1
            11    9  13 1
            12    9  14 1
            13    9  15 1 #Up
            14   10  16 1
            15   11  17 1
            16   11  18 1 #Up
            17   13  19 1
            18   14  20 1
            19   19  21 1
            20   11  16 1
            21   12  13 1
            22   20  21 1
            23   21  22 1 #Up
            24    4   7 1
            25    1  23 2
            26   23  24 1
            27    2  17 1

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