KEGG   COMPOUND: C11691Help
Entry
C11691                      Compound                               

Name
Stemmadenine
Formula
C21H26N2O3
Exact mass
354.1943
Mol weight
354.4427
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11691  Stemmadenine
BRITE hierarchy
Other DBs
CAS: 
10012-73-4
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8y C    24.6772  -18.0821
            2   C8y C    24.7191  -19.4094
            3   C8x C    22.3778  -18.1404
            4   C8x C    22.4238  -19.4677
            5   C8x C    23.5897  -20.0913
            6   C8x C    23.5117  -17.4441
            7   C1z C    28.0336  -18.5771
            8   C1y C    28.5620  -17.3648
            9   C1x C    27.7789  -16.2979
            10  C1x C    26.4677  -16.4469
            11  N1y N    25.4753  -15.5621
            12  C1x C    24.3265  -16.2289
            13  C1x C    24.6118  -17.5302
            14  C1x C    26.2823  -14.5135
            15  C2y C    29.3685  -16.3162
            16  C7a C    28.8251  -19.6368
            17  O7a O    30.1313  -19.4856
            18  O6a O    28.4325  -20.8502
            19  C1a C    30.9248  -20.5505
            20  C8y C    26.7220  -18.7293
            21  C8y C    25.9312  -17.6604
            22  C2b C    30.5778  -17.0098
            23  C1a C    30.5778  -18.4011
            24  N4x N    26.0441  -19.7038
            25  C1b C    27.3641  -19.7148
            26  O1a O    27.3571  -21.0285
BOND        29
            1    12  13 1
            2    21  13 1 #Up
            3    11  14 1
            4     1   2 2
            5     8  15 1
            6    14  15 1
            7     3   4 1
            8     7  16 1
            9    20   7 1
            10   16  17 1
            11    7   8 1
            12   16  18 2
            13    8   9 1
            14   17  19 1
            15    9  10 1
            16    4   5 2
            17    5   2 1
            18   20  21 2
            19   21   1 1
            20    2  24 1
            21   24  20 1
            22    1   6 1
            23   15  22 2
            24    6   3 2
            25   22  23 1
            26   10  11 1
            27    7  25 1 #Up
            28   11  12 1
            29   25  26 1

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