KEGG   COMPOUND: C01091Help
Entry
C01091                      Compound                               

Name
Deacetylvindoline;
17-O-Deacetylvindoline;
Desacetylvindoline
Formula
C23H30N2O5
Exact mass
414.2155
Mol weight
414.4947
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Enzyme
1.14.11.20      2.1.1.94        2.3.1.107
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C01091  Deacetylvindoline
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C1z C    26.7876  -15.0659
            2   C1y C    27.9280  -14.3887
            3   C1y C    26.7876  -16.4060
            4   C8y C    24.4587  -15.0659
            5   C1x C    25.8187  -13.9750
            6   C1z C    29.1282  -15.0602
            7   N1y N    27.9339  -13.1012
            8   C1z C    27.9644  -17.0889
            9   N1y N    25.6238  -17.0889
            10  C8y C    24.4587  -16.4060
            11  C8x C    23.2948  -14.4004
            12  C1x C    26.5551  -12.8695
            13  C1y C    29.1342  -16.4119
            14  C2x C    30.3050  -14.3713
            15  C1b C    30.2699  -15.7184
            16  C1x C    29.1166  -12.3367
            17  C7a C    28.6111  -18.2294
            18  O1a O    26.9580  -18.8004
            19  C1a C    25.0703  -18.6824
            20  C8x C    23.2948  -17.0947
            21  C8x C    22.1415  -15.0659
            22  O1a O    30.2699  -17.0412
            23  C2x C    30.3107  -13.0066
            24  C1a C    31.4221  -15.0543
            25  O7a O    29.9394  -18.2354
            26  O6a O    27.9468  -19.3700
            27  C8y C    22.1415  -16.4060
            28  C1a C    30.6048  -19.3945
            29  O2a O    20.9893  -17.0713
            30  C1a C    19.8359  -16.4002
BOND        34
            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
            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   29  30 1
            30    7  12 1
            31    8  13 1
            32    9  10 1
            33   16  23 1
            34   21  27 1

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