KEGG   COMPOUND: C11700
Entry
C11700                      Compound                               

Name
10-Deacetylbaccatin III
Formula
C29H36O10
Exact mass
544.2308
Mol weight
544.5901
Structure
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01100  Metabolic pathways
map01110  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
Other DBs
CAS: 32981-86-5
PubChem: 13865
ChEBI: 18193
ChEMBL: CHEMBL1565880 CHEMBL393912
KNApSAcK: C00035995
3DMET: B04314
NIKKAJI: J510.941H
KCF data

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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