KEGG   COMPOUND: C04318
Entry
C04318                      Compound                               
Name
11-O-Demethyl-17-O-deacetylvindoline
Formula
C22H28N2O5
Exact mass
400.1998
Mol weight
400.47
Structure
Reaction
Enzyme
Other DBs
PubChem: 6976
ChEBI: 16147
NIKKAJI: J833.364E
LinkDB
KCF data

ATOM        29
            1   C1z C    18.5858  -16.0755
            2   C1y C    19.7523  -15.3977
            3   C1y C    18.5918  -17.4191
            4   C8y C    16.2648  -16.0755
            5   C1x C    17.7246  -14.9701
            6   C1z C    20.9250  -16.0695
            7   N1y N    19.7400  -14.0356
            8   C1z C    19.7645  -18.0972
            9   N1y N    17.4253  -18.0972
            10  C8y C    16.2648  -17.4191
            11  C8x C    15.0982  -15.4159
            12  C1x C    18.4086  -13.9563
            13  C1y C    20.9066  -17.4925
            14  C2x C    22.1037  -15.3854
            15  C1b C    22.0671  -16.7291
            16  C1x C    20.9188  -13.3516
            17  C7a C    20.6928  -19.0317
            18  O1a O    19.2636  -19.9937
            19  C1a C    16.5270  -19.4019
            20  C8x C    15.0982  -18.1032
            21  C8x C    13.9500  -16.0755
            22  O1a O    22.0853  -18.0910
            23  C2x C    22.1097  -14.0234
            24  C1a C    23.2153  -16.0633
            25  O7a O    20.6041  -20.4726
            26  O6a O    21.9755  -19.3248
            27  C8y C    13.9500  -17.4191
            28  C1a C    19.4714  -21.4978
            29  O1a O    12.7957  -18.0787
BOND        33
            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    8  17 1 #Down
            17    8  18 1 #Up
            18    9  19 1
            19   10  20 1
            20   11  21 2
            21   13  22 1 #Up
            22   14  23 2
            23   15  24 1
            24   17  25 1
            25   17  26 2
            26   20  27 2
            27   25  28 1
            28   27  29 1
            29    7  12 1
            30    8  13 1
            31    9  10 1
            32   16  23 1
            33   21  27 1

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