KEGG   COMPOUND: C11679Help
Entry
C11679                      Compound                               

Name
4,21-Dehydrocorynantheine aldehyde
Formula
C21H23N2O3
Exact mass
351.1709
Mol weight
351.4189
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
    C11679  4,21-Dehydrocorynantheine aldehyde
BRITE hierarchy
Other DBs
CAS: 
85925-15-1
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1y C    29.9980  -15.2069
            2   C1x C    31.1944  -13.1432
            3   C1x C    30.0096  -12.4516
            4   C8y C    28.8064  -14.5061
            5   C8y C    28.8182  -13.0615
            6   N4x N    27.6179  -15.1971
            7   C8y C    26.4273  -14.4856
            8   C8y C    26.4459  -13.1151
            9   C8x C    25.2721  -12.4209
            10  C8x C    24.0797  -13.0830
            11  C8x C    24.0613  -14.4535
            12  C8x C    25.2351  -15.1618
            13  C1x C    30.0610  -16.6090
            14  C1y C    31.2026  -17.3126
            15  C2c C    31.1955  -18.7147
            16  C1y C    32.4212  -16.6212
            17  C2b C    33.6258  -17.3248
            18  C7a C    29.9768  -19.4130
            19  C2b C    32.4072  -19.4252
            20  O1a O    32.4000  -20.8273
            21  O7a O    29.9699  -20.8151
            22  O6a O    28.7653  -18.7023
            23  C2x C    32.4283  -15.2193
            24  C2a C    33.6187  -18.7268
            25  N2y N    31.2166  -14.5086 #+
            26  C1a C    28.7513  -21.5065
BOND        29
            1    12   7 1
            2     1  13 1
            3     4   5 2
            4    13  14 1
            5     1  25 1
            6    14  15 1
            7    25   2 1
            8    14  16 1
            9     7   6 1
            10   16  17 1
            11    6   4 1
            12   15  18 1
            13    5   8 1
            14   15  19 2
            15    5   3 1
            16   19  20 1
            17    2   3 1
            18   18  21 1
            19   18  22 2
            20    1   4 1
            21   16  23 1
            22    7   8 2
            23    8   9 1
            24    9  10 2
            25   17  24 2
            26   10  11 1
            27   23  25 2
            28   11  12 2
            29   21  26 1

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