KEGG   DRUG: Algestone acetonideHelp
Entry
D02808                      Drug                                   

Name
Algestone acetonide (USAN)
Formula
C24H34O4
Exact mass
386.2457
Mol weight
386.5244
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory
Other DBs
CAS: 4968-09-6
PubChem: 17396966
ChEBI: 49320
ChEMBL: CHEMBL2105960
LigandBox: D02808
NIKKAJI: J8.789K
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1x C    17.1519  -26.4916
            2   C5x C    17.1519  -27.8491
            3   C2x C    18.3275  -28.5276
            4   C2y C    19.5029  -27.8491
            5   C1z C    19.5029  -26.4916
            6   C1x C    18.3275  -25.8128
            7   C1x C    20.6786  -28.5276
            8   C1x C    21.8540  -27.8491
            9   C1y C    21.8540  -26.4916
            10  C1y C    20.6786  -25.8128
            11  C1y C    23.0297  -25.8128
            12  C1z C    23.0297  -24.4556
            13  C1x C    21.8540  -23.7770
            14  C1x C    20.6786  -24.4556
            15  C1x C    25.3807  -25.8128
            16  C1y C    25.3807  -24.4556
            17  C1z C    24.2052  -23.7770
            18  C1a C    23.0566  -23.0982
            19  C1a C    19.4999  -25.0951
            20  O5x O    15.9516  -28.5423
            21  C5a C    24.2048  -22.3535
            22  O5a O    23.0086  -21.6634
            23  C1a C    25.4263  -21.6479
            24  O2x O    25.4084  -23.0514
            25  O2x O    26.8041  -24.4472
            26  C1z C    26.8041  -23.0514
            27  C1a C    28.0937  -23.5855
            28  C1a C    27.5055  -21.8366
BOND        32
            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   17  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   17  24 1 #Down
            28   16  25 1 #Down
            29   24  26 1
            30   25  26 1
            31   26  27 1
            32   26  28 1

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