KEGG   COMPOUND: C14637
Entry
C14637                      Compound                               
Name
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Formula
C21H24O4
Exact mass
340.1675
Mol weight
340.4129
Structure
Other DBs
CAS: 337-68-8
PubChem: 17395637
ChEBI: 34173
NIKKAJI: J83.646J
LinkDB
KCF data

ATOM        25
            1   C1x C    21.0972  -20.9992
            2   C5x C    21.0972  -22.3594
            3   C2x C    22.2751  -23.0394
            4   C2y C    23.4530  -22.3594
            5   C1z C    23.4530  -20.9992
            6   C1x C    22.2751  -20.3192
            7   C1x C    24.6309  -23.0394
            8   C1x C    25.8088  -22.3594
            9   C1y C    25.8088  -20.9992
            10  C1y C    24.6309  -20.3192
            11  C1y C    26.9867  -20.3192
            12  C1z C    26.9867  -18.9591
            13  C1x C    25.8088  -18.2791
            14  C5x C    24.6309  -18.9591
            15  C1x C    29.3424  -20.3192
            16  C1y C    29.3424  -18.9591
            17  C2y C    28.1645  -18.2791
            18  C1a C    27.0137  -17.5991
            19  C1a C    23.4500  -19.6000
            20  O5x O    19.8777  -23.0638
            21  O5x O    23.4300  -18.2658
            22  O7x O    30.5549  -18.2590
            23  C7x C    30.5548  -16.8590
            24  C2x C    28.1645  -16.8791
            25  O6a O    31.5175  -15.8876
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            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    5  19 1 #Up
            23    2  20 2
            24   14  21 2
            25   16  22 1
            26   22  23 1
            27   23  24 1
            28   17  24 2
            29   23  25 2

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