KEGG   COMPOUND: C08748Help
Entry
C08748                      Compound                               

Name
Azadirachtin A;
Azadirachtin
Formula
C35H44O16
Exact mass
720.2629
Mol weight
720.7143
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of terpenoids and steroids
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010610 Apotirucallane triterpenoids
     C08748  Azadirachtin A
BRITE hierarchy
Other DBs
CAS: 
11141-17-6
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        51
            1   C1z C    28.7922  -15.1081
            2   C1z C    25.8019  -15.8206
            3   C1z C    28.7863  -13.7825
            4   C1y C    29.8552  -15.9432
            5   O2x O    27.7175  -14.4540
            6   C1y C    24.6164  -15.1315
            7   C1y C    25.7962  -17.1698
            8   C1a C    26.9817  -16.5040
            9   C1y C    29.8435  -12.9356
            10  C1a C    28.7806  -12.4450
            11  C1x C    30.5675  -14.4774
            12  O2x O    31.1633  -15.6279
            13  C1z C    23.4368  -15.8089
            14  C1z C    24.6749  -13.7765
            15  C1y C    24.6106  -17.8413
            16  O1a O    26.9817  -17.8647
            17  C1z C    31.1574  -13.2219
            18  C1y C    31.7239  -14.4189
            19  C1y C    23.4368  -17.1698
            20  C1y C    22.2746  -15.1257
            21  C1x C    23.0105  -14.4482
            22  O2x O    23.4134  -13.1050
            23  C7a C    25.7728  -13.0933
            24  O1a O    25.7145  -14.6699
            25  O2x O    24.2368  -19.1728
            26  C2x C    32.1152  -12.3107
            27  O1a O    30.5209  -11.9311
            28  O2x O    33.0380  -14.2381
            29  C1z C    22.2687  -17.8413
            30  C1x C    21.0890  -15.8089
            31  O7a O    22.2570  -13.7765
            32  O7a O    25.7611  -11.7034
            33  O6a O    26.9700  -13.7765
            34  C1x C    22.6191  -19.1728
            35  C2x C    33.2833  -12.9356
            36  C1y C    21.0890  -17.1698
            37  C7a C    21.5738  -19.0211
            38  C7a C    21.0831  -13.0991
            39  C1a C    26.9467  -11.0025
            40  O7a O    19.9152  -17.8413
            41  O7a O    20.2014  -19.0094
            42  O6a O    22.2453  -20.2124
            43  C2c C    19.9152  -13.7765
            44  O6a O    21.0831  -11.7384
            45  C7a C    18.7354  -17.1581
            46  C1a C    19.4363  -20.3932
            47  C2b C    18.7354  -13.0991
            48  C1a C    19.9735  -14.9157
            49  C1a C    17.5615  -17.8296
            50  O6a O    18.7354  -16.0132
            51  C1a C    17.5615  -13.7765
BOND        58
            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     2   8 1 #Up
            8     3   9 1
            9     3  10 1 #Down
            10    4  11 1 #Up
            11    4  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Down
            16    9  17 1
            17   12  18 1
            18   13  19 1
            19   13  20 1
            20   13  21 1 #Up
            21   14  22 1
            22   14  23 1 #Down
            23   14  24 1 #Up
            24   15  25 1
            25   17  26 1
            26   17  27 1 #Down
            27   18  28 1
            28   19  29 1
            29   20  30 1
            30   20  31 1 #Down
            31   23  32 1
            32   23  33 2
            33   25  34 1
            34   26  35 2
            35   29  36 1
            36   29  37 1 #Up
            37   31  38 1
            38   32  39 1
            39   36  40 1 #Down
            40   37  41 1
            41   37  42 2
            42   38  43 1
            43   38  44 2
            44   40  45 1
            45   41  46 1
            46   43  47 2
            47   43  48 1
            48   45  49 1
            49   45  50 2
            50   47  51 1
            51    3   5 1 #Up
            52    9  11 1 #Up
            53   15  19 1
            54   17  18 1
            55   21  22 1
            56   28  35 1
            57   29  34 1
            58   30  36 1

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