KEGG   COMPOUND: C11641Help
Entry
C11641                      Compound                               

Name
3',4'-Anhydrovinblastine
Formula
C46H56N4O8
Exact mass
792.4098
Mol weight
792.9588
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11641  3',4'-Anhydrovinblastine
BRITE hierarchy
Other DBs
CAS: 38390-45-3
PubChem: 13806
ChEBI: 1322
ChEMBL: CHEMBL509507
3DMET: B04281
NIKKAJI: J397.714E
KCF data Show

ATOM        58
            1   C1z C    28.9933  -18.3453
            2   C1y C    30.1359  -17.6757
            3   C1y C    28.9992  -19.6624
            4   C8y C    26.7200  -18.3453
            5   C1x C    28.1478  -17.2552
            6   C1z C    31.2901  -18.3395
            7   N1y N    30.1242  -16.3410
            8   C1z C    30.1475  -20.3217
            9   N1y N    27.8508  -20.3217
            10  C8y C    26.7200  -19.6624
            11  C8x C    25.5787  -17.6931
            12  C1x C    28.8187  -16.2653
            13  C1y C    31.3017  -19.6683
            14  C2x C    32.4326  -17.6641
            15  C1b C    32.3976  -18.9812
            16  C1x C    31.2841  -15.6701
            17  C7a C    31.0513  -21.2243
            18  C1a C    27.2045  -21.4222
            19  C8x C    25.5787  -20.3276
            20  C8y C    24.4594  -18.3395
            21  O7a O    34.4450  -21.3588
            22  C2x C    32.4383  -16.3293
            23  C1a C    33.5855  -18.0538
            24  O7a O    30.8929  -22.5066
            25  O6a O    32.3033  -21.5154
            26  C8y C    24.4594  -19.6624
            27  C1z C    21.2299  -15.3031
            28  O2a O    23.3343  -20.3029
            29  C8y C    20.1003  -14.5334
            30  C1x C    22.5063  -14.5568
            31  C7a C    20.8688  -16.6147
            32  C1a C    22.2095  -19.6508
            33  C8y C    20.1003  -13.1754
            34  N4x N    18.9635  -15.2158
            35  C1y C    22.5063  -13.2570
            36  O7a O    19.4178  -17.0747
            37  O6a O    21.7086  -17.6583
            38  C8y C    17.7629  -13.1754
            39  C1x C    19.3652  -12.0690
            40  C8y C    17.7629  -14.5334
            41  C1x C    21.3651  -12.6398
            42  C2x C    23.6720  -12.4360
            43  C1a C    18.5442  -18.5084
            44  C8x C    16.6087  -12.5059
            45  C1x C    20.1468  -11.0720
            46  C8x C    16.6087  -15.2158
            47  N1y N    21.3651  -11.3865
            48  C2y C    23.6430  -11.2818
            49  C8x C    15.5185  -13.1754
            50  C8x C    15.5185  -14.5334
            51  C1x C    22.5006  -10.6296
            52  C1b C    24.8468  -10.5686
            53  C1a C    26.0699  -11.2485
            54  O1a O    29.6618  -21.9331
            55  C1a C    29.5723  -23.0654
            56  C7a C    35.6564  -20.6569
            57  C1a C    36.8470  -21.3420
            58  O6a O    35.6545  -19.2502
BOND        66
            1     1   4 1
            2     1   5 1 #Up
            3     2   6 1
            4     2   7 1
            5     3   8 1
            6     3   9 1
            7     4  10 2
            8     4  11 1
            9     5  12 1
            10    6  13 1
            11    6  14 1
            12    6  15 1 #Down
            13    7  16 1
            14    8  17 1 #Down
            15    9  18 1
            16   10  19 1
            17   11  20 2
            18   13  21 1 #Up
            19   14  22 2
            20   15  23 1
            21   17  24 1
            22   17  25 2
            23   19  26 2
            24   27  20 1 #Down
            25   26  28 1
            26   27  29 1
            27   27  30 1
            28   27  31 1 #Up
            29   28  32 1
            30   29  33 2
            31   29  34 1
            32   30  35 1
            33   31  36 1
            34   31  37 2
            35   33  38 1
            36   33  39 1
            37   34  40 1
            38   35  41 1 #Down
            39   35  42 1
            40   36  43 1
            41   38  44 1
            42   39  45 1
            43   40  46 1
            44   47  41 1 #Down
            45   42  48 2
            46   44  49 2
            47   46  50 2
            48   47  51 1
            49    7  12 1
            50    8  13 1
            51    9  10 1
            52   16  22 1
            53   20  26 1
            54   38  40 2
            55   45  47 1
            56   48  51 1
            57   49  50 1
            58   48  52 1
            59    1   2 1
            60   52  53 1
            61    1   3 1
            62    8  54 1 #Up
            63   24  55 1
            64   21  56 1
            65   56  57 1
            66   56  58 2

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