KEGG   COMPOUND: C11678Help
Entry
C11678                      Compound                               

Name
Dialdehyde
Formula
C21H24N2O4
Exact mass
368.1736
Mol weight
368.4263
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11678  Dialdehyde
BRITE hierarchy
Other DBs
CAS: 
85955-83-5
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C1y C    27.8209  -15.9276
            2   N1x N    29.0189  -15.2346
            3   C1x C    29.0179  -13.8627
            4   C1x C    27.8325  -13.1708
            5   C8y C    26.6987  -15.2263
            6   C8y C    26.6406  -13.8511
            7   N4x N    25.4396  -15.9178
            8   C8y C    24.3185  -15.2058
            9   C8y C    24.2671  -13.8347
            10  C8x C    23.0927  -13.1400
            11  C8x C    21.8997  -13.8025
            12  C8x C    21.8813  -15.1737
            13  C8x C    23.0557  -15.8825
            14  C1b C    27.8139  -17.3302
            15  C1c C    29.0260  -18.0342
            16  C2c C    29.0189  -19.4369
            17  C1c C    30.2453  -17.3424
            18  C2b C    31.4504  -18.0465
            19  C7a C    27.7997  -20.1356
            20  C2b C    30.2312  -20.1480
            21  O1a O    30.2241  -21.5506
            22  O7a O    27.7928  -21.5384
            23  O6a O    26.5876  -19.4248
            24  C4a C    30.2524  -15.9398
            25  O4a O    31.4645  -15.2410
            26  C2a C    31.4433  -19.4491
            27  C1a C    26.5736  -22.2301
BOND        29
            1    13   8 1
            2     1  14 1
            3     5   6 2
            4    14  15 1
            5     1   2 1
            6    15  16 1
            7     2   3 1
            8    15  17 1
            9     8   7 1
            10   17  18 1
            11    7   5 1
            12   16  19 1
            13    6   9 1
            14   16  20 2
            15    6   4 1
            16   20  21 1
            17    3   4 1
            18   19  22 1
            19   19  23 2
            20    1   5 1
            21   17  24 1
            22    8   9 2
            23   24  25 2
            24    9  10 1
            25   10  11 2
            26   11  12 1
            27   18  26 2
            28   12  13 2
            29   22  27 1

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