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
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.99.41       1.14.14.50
Other DBs
PubChem: 350078255
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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