KEGG   COMPOUND: C22961
Entry
C22961                      Compound                               
Name
17-Dehydropreakuammicine hydrate
Formula
C21H24N2O4
Exact mass
368.1736
Mol weight
368.43
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 500141092
LinkDB
KCF data

ATOM        27
            1   C8y C    16.2400  -16.3800
            2   C8y C    16.2400  -17.7100
            3   C8x C    13.9300  -16.4500
            4   C8x C    13.9300  -17.7800
            5   C8x C    15.1200  -18.4100
            6   C8x C    15.0500  -15.7500
            7   C1z C    19.6000  -16.8700
            8   C1y C    20.0900  -15.6800
            9   C1x C    19.3200  -14.6300
            10  C1y C    17.9900  -14.7700
            11  N1y N    17.0100  -13.8600
            12  C1x C    15.8900  -14.5600
            13  C1x C    16.1700  -15.8200
            14  C1x C    17.8500  -12.8100
            15  C2y C    20.8600  -14.5600
            16  C7a C    21.0000  -17.7800
            17  O7a O    22.2600  -17.7800
            18  O6a O    20.4400  -19.0400
            19  C1a C    23.2400  -19.1100
            20  C2y C    18.2700  -17.0800
            21  C1z C    17.5000  -15.9600
            22  N2x N    17.5000  -18.1300
            23  C2b C    22.1200  -15.3300
            24  C1a C    22.1200  -16.7300
            25  C1c C    18.9700  -17.7100
            26  O1a O    19.4600  -19.1324
            27  O1a O    18.2700  -18.9224
BOND        31
            1    10  11 1
            2    11  12 1
            3    12  13 1
            4    21  13 1 #Up
            5    11  14 1
            6     1   2 2
            7     8  15 1
            8    14  15 1
            9     3   4 1
            10    7  16 1 #Down
            11   20   7 1
            12   16  17 1
            13    7   8 1
            14   16  18 2
            15    8   9 1
            16   17  19 1
            17    9  10 1
            18    4   5 2
            19    5   2 1
            20   20  21 1
            21   21   1 1
            22    2  22 1
            23   22  20 2
            24    1   6 1
            25   15  23 2
            26    6   3 2
            27   23  24 1
            28   21  10 1
            29    7  25 1
            30   25  26 1
            31   25  27 1

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