KEGG   COMPOUND: C11896Help
Entry
C11896                      Compound                               

Name
Taxa-4(20),11(12)-dien-5alpha-yl acetate
Formula
C22H34O2
Exact mass
330.2559
Mol weight
330.5042
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010439 Taxane and abeotaxane diterpenoids
     C11896  Taxa-4(20),11(12)-dien-5alpha-yl acetate
BRITE hierarchy
Other DBs
CAS: 214628-37-2
PubChem: 14058
ChEBI: 30042
LIPIDMAPS: LMPR0104390004
3DMET: B04371
NIKKAJI: J1.250.576K
KCF data Show

ATOM        24
            1   C1y C    26.9695  -20.8489
            2   C2y C    28.0721  -21.4765
            3   C1x C    26.1895  -21.7110
            4   C1z C    26.9695  -19.5758
            5   C1y C    29.1747  -20.8489
            6   C2a C    28.0607  -22.8525
            7   C1y C    23.7285  -21.6939
            8   C1x C    25.2336  -18.5832
            9   C1x C    28.0721  -18.9479
            10  C1a C    26.9852  -18.2316
            11  O7a O    30.2485  -21.5737
            12  C1x C    29.1747  -19.5758
            13  C1z C    23.7285  -20.4141
            14  C1x C    22.6258  -22.3331
            15  C1x C    22.6317  -18.5188
            16  C2y C    22.6258  -19.7862
            17  C1a C    24.7969  -19.4442
            18  C1a C    24.8528  -20.8404
            19  C1x C    21.5237  -21.6939
            20  C2y C    21.5237  -20.4141
            21  C1a C    20.4279  -19.7862
            22  C7a C    31.4132  -21.0061
            23  C1a C    32.5277  -21.6420
            24  O6a O    31.4550  -19.7237
BOND        26
            1     2   6 2
            2     3   7 1
            3     4   8 1
            4     4   9 1
            5     4  10 1 #Up
            6     5  11 1 #Down
            7     5  12 1
            8     7  13 1
            9     7  14 1
            10    8  15 1
            11   13  16 1
            12   13  17 1
            13   13  18 1
            14   14  19 1
            15   16  20 2
            16   20  21 1
            17    9  12 1
            18   15  16 1
            19   19  20 1
            20    1   2 1
            21    1   3 1
            22   11  22 1
            23    1   4 1
            24   22  23 1
            25    2   5 1
            26   22  24 2

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