KEGG   COMPOUND: C11700Help
Entry
C11700                      Compound                               

Name
10-Deacetylbaccatin III
Formula
C29H36O10
Exact mass
544.2308
Mol weight
544.5901
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Diterpenoid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
2.3.1.166       2.3.1.167
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Taxanes
    C11700  10-Deacetylbaccatin III
Natural toxins [BR:br08009]
 Phytotoxins
  Terpenoids
   Diterpenoids
    C11700  10-Deacetylbaccatin III
BRITE hierarchy
Other DBs
CAS: 
32981-86-5
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        39
            1   C1y C    28.0306  -18.7855
            2   C1z C    29.1463  -19.4176
            3   C1y C    27.2364  -19.6564
            4   C1z C    28.0306  -17.4962
            5   C1y C    30.2618  -18.7855
            6   C1x C    30.3084  -20.1616
            7   O7a O    29.1346  -20.8116
            8   C1z C    24.7446  -19.6390
            9   O7a O    27.2470  -21.7816
            10  C5x C    26.3412  -16.4214
            11  C1y C    29.1463  -16.8569
            12  C1a C    27.9779  -16.1359
            13  O2x O    31.4883  -19.5165
            14  C1x C    30.2618  -17.4962
            15  C7a C    30.3376  -21.5148
            16  C1z C    24.7446  -18.3428
            17  C1x C    23.6289  -20.2898
            18  O1a O    24.7270  -20.8930
            19  C7a C    26.1267  -22.4092
            20  C1y C    23.6348  -16.4271
            21  O5x O    26.2945  -15.0102
            22  O1a O    29.4320  -15.4210
            23  C1a C    31.5450  -20.8347
            24  O6a O    30.3260  -22.9089
            25  C2y C    23.6289  -17.7105
            26  C1a C    25.8253  -17.3623
            27  C1a C    25.8122  -18.8494
            28  C1y C    22.5135  -19.6390
            29  C8y C    26.1094  -23.6982
            30  O6a O    25.0229  -21.7535
            31  O1a O    22.5192  -15.7834
            32  C2y C    22.5135  -18.3428
            33  O1a O    21.3194  -20.2222
            34  C8x C    24.9937  -24.3259
            35  C8x C    27.2306  -24.3549
            36  C1a C    21.4049  -17.7105
            37  C8x C    24.9703  -25.6105
            38  C8x C    27.2073  -25.6383
            39  C8x C    26.0861  -26.2777
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Up
            12    5  13 1 #Up
            13    5  14 1
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17    8  18 1 #Up
            18    9  19 1
            19   10  20 1
            20   10  21 2
            21   11  22 1 #Up
            22   15  23 1
            23   15  24 2
            24   16  25 1
            25   16  26 1
            26   16  27 1
            27   17  28 1
            28   19  29 1
            29   19  30 2
            30   20  31 1 #Up
            31   25  32 2
            32   28  33 1 #Down
            33   29  34 2
            34   29  35 1
            35   32  36 1
            36   34  37 1
            37   35  38 2
            38   37  39 2
            39    6  13 1
            40   11  14 1
            41   20  25 1
            42   28  32 1
            43   38  39 1

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