KEGG   COMPOUND: C21678
Entry
C21678                      Compound                               
Name
(3R)-3-Hydroxy-16-methoxy-1,2-didehydro-2,3-dihydrotabersonine
Formula
C22H26N2O4
Exact mass
382.1893
Mol weight
382.4528
Structure
Reaction
R11777 R11810
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00965  Vindoline biosynthesis, tabersonine => vindoline
Enzyme
1.1.99.41       1.14.14.50
Other DBs
PubChem: 350078255
LinkDB
KCF data

ATOM        28
            1   C1z C    19.8331  -15.5353
            2   C1y C    20.9426  -14.8420
            3   C2y C    19.8331  -16.8529
            4   C8y C    17.4756  -15.5353
            5   C1x C    18.8624  -14.4260
            6   C1z C    22.1212  -15.5353
            7   N1y N    20.9426  -13.5939
            8   C1z C    21.0119  -17.5463
            9   N2x N    18.6544  -17.5463
            10  C8y C    17.4756  -16.8529
            11  C8x C    16.2968  -14.8420
            12  C1x C    19.5558  -13.3165
            13  C1x C    22.1212  -16.8529
            14  C2x C    23.3001  -14.8420
            15  C1b C    23.3001  -16.1595
            16  C1x C    22.1212  -12.7618
            17  C8x C    16.2968  -17.5463
            18  C8x C    15.1874  -15.5353
            19  C2x C    23.3001  -13.4552
            20  C1a C    24.4095  -15.5353
            21  C8y C    15.1874  -16.8529
            22  O2a O    14.0086  -17.5463
            23  C1a C    12.8299  -16.8529
            24  O1a O    22.7993  -18.3193
            25  C7a C    21.0119  -18.9303
            26  O6a O    19.8488  -19.6012
            27  O7a O    22.2157  -19.6258
            28  C1a C    22.2157  -21.0258
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 2
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    6  15 1 #Down
            15    7  16 1
            16   10  17 1
            17   11  18 2
            18   14  19 2
            19   15  20 1
            20   17  21 2
            21   21  22 1
            22   22  23 1
            23    7  12 1
            24    8  13 1
            25    9  10 1
            26   16  19 1
            27   18  21 1
            28    8  24 1 #Up
            29    8  25 1
            30   25  26 2
            31   25  27 1
            32   27  28 1

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