KEGG   COMPOUND: C15456
Entry
C15456                      Compound                               
Name
11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
Formula
C19H24O4
Exact mass
316.1675
Mol weight
316.3915
Structure
Other DBs
PubChem: 17396453
ChEBI: 79953
NIKKAJI: J2.794.487F
LinkDB
KCF data

ATOM        23
            1   C1y C    29.3575  -20.6928
            2   C1y C    28.1917  -20.0248
            3   C1y C    30.5297  -20.0126
            4   C1x C    29.3391  -22.0895
            5   C1z C    27.0318  -20.7050
            6   C1y C    28.1795  -18.6705
            7   C1z C    30.5356  -18.6584
            8   C1x C    28.1977  -22.7089
            9   C2y C    27.0318  -22.0409
            10  C2x C    25.8901  -20.0491
            11  C1a C    27.0136  -19.0773
            12  C1x C    29.3515  -17.9904
            13  C1a C    30.5355  -17.0463
            14  C2x C    25.8718  -22.7150
            15  C2x C    24.7303  -20.7050
            16  C5x C    24.7303  -22.0409
            17  O1a O    26.9946  -17.9952
            18  O5x O    23.4952  -22.7459
            19  C1x C    31.7391  -20.7179
            20  C1x C    32.9545  -20.0232
            21  C7x C    32.9604  -18.6690
            22  O7x O    31.7511  -17.9637
            23  O6a O    34.1739  -17.9754
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1 #Up
            13    9  14 2
            14   10  15 2
            15   14  16 1
            16    7  12 1
            17    8   9 1
            18   15  16 1
            19    6  17 1 #Up
            20   16  18 2
            21    3  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25    7  22 1
            26   21  23 2

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