KEGG   COMPOUND: C22926
Entry
C22926                      Compound                               
Name
Diaboline
Formula
C21H24N2O3
Exact mass
352.1787
Mol weight
352.43
Structure
Reaction
R13335
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.1.326
Brite
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C22926
Other DBs
CAS: 509-40-0
PubChem: 497620277
LinkDB
KCF data

ATOM        26
            1   C8y C    16.5900  -15.9600
            2   C8y C    16.5900  -17.2900
            3   C8x C    14.2800  -16.0300
            4   C8x C    14.2800  -17.3600
            5   C8x C    15.4700  -17.9900
            6   C8x C    15.4000  -15.3300
            7   C1y C    19.9500  -16.4500
            8   C1y C    20.4400  -15.2600
            9   C1x C    19.6700  -14.2100
            10  C1y C    18.3400  -14.3500
            11  N1y N    17.3600  -13.4400
            12  C1x C    16.2400  -14.1400
            13  C1x C    16.5200  -15.4000
            14  C1x C    18.2000  -12.3900
            15  C2y C    21.2100  -14.1400
            16  C1y C    18.6200  -16.6600
            17  C1z C    17.8500  -15.5400
            18  N1y N    17.8500  -17.7100
            19  C2x C    22.4700  -14.9100
            20  C1x C    22.9600  -16.1000
            21  C1y C    20.7900  -17.5700
            22  O1a O    20.7900  -19.5300
            23  O2x O    22.6100  -17.7100
            24  C5a C    17.8500  -19.1100
            25  C1a C    16.6376  -19.8100
            26  O5a O    19.0624  -19.8100
BOND        31
            1    10  11 1
            2    11  12 1
            3    12  13 1
            4    17  13 1 #Up
            5    11  14 1
            6     1   2 2
            7     8  15 1
            8    14  15 1
            9     3   4 1
            10   16   7 1
            11    7   8 1
            12    8   9 1
            13    9  10 1
            14    4   5 2
            15    5   2 1
            16   16  17 1
            17   17   1 1
            18    2  18 1
            19   18  16 1
            20    1   6 1
            21   15  19 2
            22    6   3 2
            23   19  20 1
            24   17  10 1
            25    7  21 1
            26   21  22 1 #Up
            27   20  23 1
            28   21  23 1
            29   18  24 1
            30   24  25 1
            31   24  26 2

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