KEGG   COMPOUND: C22933
Entry
C22933                      Compound                               
Name
Stemmadenine acetate
Formula
C23H28N2O4
Exact mass
396.2049
Mol weight
396.48
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00965  Vinblastine biosynthesis, geissoschizine => vinblastine
Enzyme
1.21.3.11       2.3.1.323
Other DBs
PubChem: 497620284
PDB-CCD: OSO[PDBj]
LinkDB
KCF data

ATOM        29
            1   C8y C    16.6272  -15.2821
            2   C8y C    16.6691  -16.6094
            3   C8x C    14.3278  -15.3404
            4   C8x C    14.3738  -16.6677
            5   C8x C    15.5397  -17.2913
            6   C8x C    15.4617  -14.6441
            7   C1z C    19.9836  -15.7771
            8   C1y C    20.5120  -14.5648
            9   C1x C    19.7289  -13.4979
            10  C1x C    18.4177  -13.6469
            11  N1y N    17.4253  -12.7621
            12  C1x C    16.2765  -13.4289
            13  C1x C    16.5618  -14.7302
            14  C1x C    18.2323  -11.7135
            15  C2y C    21.3185  -13.5162
            16  C7a C    20.7751  -16.8368
            17  O7a O    22.0813  -16.6856
            18  O6a O    20.3825  -18.0502
            19  C1a C    22.8748  -17.7505
            20  C8y C    18.6720  -15.9293
            21  C8y C    17.8812  -14.8604
            22  C2b C    22.5278  -14.2098
            23  C1a C    22.5278  -15.6011
            24  N4x N    17.9941  -16.9038
            25  C1b C    19.3141  -16.9148
            26  O7a O    19.3071  -18.2285
            27  C7a C    19.3071  -19.6285
            28  C1a C    18.1166  -20.3154
            29  O6a O    20.5165  -20.3269
BOND        32
            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
            30   26  27 1
            31   27  28 1
            32   27  29 2

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