KEGG   COMPOUND: C11691
Entry
C11691                      Compound                               
Name
Stemmadenine
Formula
C21H26N2O3
Exact mass
354.1943
Mol weight
354.44
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11691  Stemmadenine
Other DBs
CAS: 10012-73-4
PubChem: 13856
ChEBI: 9260
KNApSAcK: C00026041
3DMET: B04312
NIKKAJI: J15.606J
LinkDB
KCF data

ATOM        26
            1   C8y C    16.6272  -16.3321
            2   C8y C    16.6691  -17.6594
            3   C8x C    14.3278  -16.3904
            4   C8x C    14.3738  -17.7177
            5   C8x C    15.5397  -18.3413
            6   C8x C    15.4617  -15.6941
            7   C1z C    19.9836  -16.8271
            8   C1y C    20.5120  -15.6148
            9   C1x C    19.7289  -14.5479
            10  C1x C    18.4177  -14.6969
            11  N1y N    17.4253  -13.8121
            12  C1x C    16.2765  -14.4789
            13  C1x C    16.5618  -15.7802
            14  C1x C    18.2323  -12.7635
            15  C2y C    21.3185  -14.5662
            16  C7a C    20.7751  -17.8868
            17  O7a O    22.0813  -17.7356
            18  O6a O    20.3825  -19.1002
            19  C1a C    22.8748  -18.8005
            20  C8y C    18.6720  -16.9793
            21  C8y C    17.8812  -15.9104
            22  C2b C    22.5278  -15.2598
            23  C1a C    22.5278  -16.6511
            24  N4x N    17.9941  -17.9538
            25  C1b C    19.3141  -17.9648
            26  O1a O    19.3071  -19.2785
BOND        29
            1    12  13 1
            2    21  13 1
            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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