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 search
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
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: 4326
ChEBI: 18362
ChEMBL: CHEMBL4081511
KNApSAcK: C00024529
3DMET: B01376
NIKKAJI: J833.365C
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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