KEGG   COMPOUND: C21682
Entry
C21682                      Compound                               
Name
(3R)-3-Hydroxy-2,3-dihydrotabersonine
Formula
C21H26N2O3
Exact mass
354.1943
Mol weight
354.44
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 350078259
LinkDB
KCF data

ATOM        26
            1   C1z C    18.7127  -15.3620
            2   C1y C    19.8300  -14.6638
            3   C1y C    18.7127  -16.6888
            4   C8y C    16.3386  -15.3620
            5   C1x C    17.7352  -14.2449
            6   C1z C    21.0170  -15.3620
            7   N1y N    19.8300  -13.4069
            8   C1z C    19.8998  -17.3871
            9   N1x N    17.5258  -17.3871
            10  C8y C    16.3386  -16.6888
            11  C8x C    15.1515  -14.6638
            12  C1x C    18.4333  -13.1276
            13  C1x C    21.0170  -16.6888
            14  C2x C    22.2041  -14.6638
            15  C1b C    22.2041  -15.9906
            16  C1x C    21.0170  -12.5690
            17  C8x C    15.1515  -17.3871
            18  C8x C    14.0343  -15.3620
            19  C2x C    22.2041  -13.2672
            20  C1a C    23.3214  -15.3620
            21  C8x C    14.0343  -16.6888
            22  O1a O    21.3491  -18.0156
            23  C7a C    19.8998  -18.7871
            24  O6a O    18.6846  -19.4887
            25  O7a O    21.0858  -19.4714
            26  C1a C    21.0858  -20.8714
BOND        30
            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 1
            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    7  12 1
            22    8  13 1
            23    9  10 1
            24   16  19 1
            25   18  21 1
            26    8  22 1 #Up
            27    8  23 1
            28   23  24 2
            29   23  25 1
            30   25  26 1

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