KEGG   DRUG: Ascorbyl palmitate
Entry
D02412                      Drug                                   
Name
Ascorbyl palmitate (NF)
Formula
C22H38O7
Exact mass
414.2618
Mol weight
414.5329
Structure
Simcomp
Efficacy
Pharmaceutic aid (antioxidant)
Other DBs
CAS: 137-66-6
PubChem: 7849470
ChEBI: 140768
LigandBox: D02412
NIKKAJI: J5.632D
KCF data

ATOM        29
            1   C2y C    32.7754  -18.5325
            2   C2y C    31.3745  -18.5325
            3   C1y C    30.9543  -17.1783
            4   O7x O    32.0750  -16.3845
            5   C7x C    33.1956  -17.1783
            6   O6a O    34.5498  -16.7580
            7   O1a O    33.6159  -19.6532
            8   O1a O    30.5340  -19.6532
            9   C1c C    29.7402  -16.4778
            10  C1b C    28.5260  -17.1783
            11  O7a O    27.3119  -16.4778
            12  C7a C    26.0979  -17.1783
            13  O1a O    29.7402  -15.0769
            14  O6a O    26.0979  -18.5791
            15  C1b C    24.8837  -16.4778
            16  C1b C    23.6696  -17.1783
            17  C1b C    22.4556  -16.4778
            18  C1b C    21.2414  -17.1783
            19  C1b C    20.0274  -16.4778
            20  C1b C    18.8133  -17.1783
            21  C1b C    17.5992  -16.4778
            22  C1b C    16.3851  -17.1783
            23  C1b C    15.1710  -16.4778
            24  C1b C    13.9568  -17.1783
            25  C1b C    12.7428  -16.4778
            26  C1b C    11.5287  -17.1783
            27  C1b C    10.3145  -16.4778
            28  C1b C     9.1005  -17.1783
            29  C1a C     7.8864  -16.4778
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     1   7 1
            8     2   8 1
            9     3   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    9  13 1 #Down
            14   12  14 2
            15   12  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1

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