KEGG   COMPOUND: C22960
Entry
C22960                      Compound                               
Name
Dehydrosecodine
Formula
C21H24N2O2
Exact mass
336.1838
Mol weight
336.43
Structure
Reaction
R13346 R13347 R13376
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00965  Vinblastine biosynthesis, geissoschizine => vinblastine
Enzyme
5.5.1.37        5.5.1.38
Other DBs
PubChem: 500141091
LinkDB
KCF data

ATOM        25
            1   C8y C    14.5600  -16.4500
            2   C8y C    14.5600  -17.7800
            3   C8x C    12.1800  -16.5200
            4   C8x C    12.1800  -17.8500
            5   C8x C    13.4400  -18.4800
            6   C8x C    13.3700  -15.8200
            7   C8y C    16.5900  -17.1500
            8   C8y C    15.7500  -16.0300
            9   N4x N    15.8900  -18.0600
            10  C2c C    17.9900  -17.1500
            11  C2a C    18.7600  -15.8900
            12  C7a C    18.6900  -18.3400
            13  O7a O    20.1600  -18.3400
            14  O6a O    17.9900  -19.5300
            15  C1a C    20.9300  -19.7400
            16  C1b C    16.7300  -14.7000
            17  C1b C    18.0600  -14.9800
            18  N1y N    19.5300  -14.0000
            19  C2x C    20.5199  -14.9899
            20  C2y C    21.8722  -14.6276
            21  C2x C    22.2346  -13.2753
            22  C2x C    21.2446  -12.2854
            23  C1x C    19.8923  -12.6477
            24  C1b C    22.8469  -15.6027
            25  C1a C    24.1724  -15.2480
BOND        27
            1     1   2 2
            2     3   4 1
            3     4   5 2
            4     5   2 1
            5     7   8 2
            6     8   1 1
            7     2   9 1
            8     9   7 1
            9     1   6 1
            10    6   3 2
            11    7  10 1
            12   10  11 2
            13   10  12 1
            14   12  13 1
            15   12  14 2
            16   13  15 1
            17    8  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   18  23 1
            26   20  24 1
            27   24  25 1

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