KEGG   COMPOUND: C06088
Entry
C06088                      Compound                               

Name
Aphidicolin
Formula
C20H34O4
Exact mass
338.2457
Mol weight
338.4816
Structure
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Aphidicolane
    C06088  Aphidicolin
Other DBs
CAS: 38966-21-1
PubChem: 8354
ChEBI: 2766
ChEMBL: CHEMBL29711
KNApSAcK: C00000873 C00023944
PDB-CCD: 2ZE[PDBj]
NIKKAJI: J19.324K
KCF data

ATOM        24
            1   C1z C    26.3831  -21.0312
            2   C1x C    26.7054  -18.9234
            3   C1y C    26.3772  -22.4285
            4   C1x C    25.1692  -20.3334
            5   C1a C    26.3715  -19.6401
            6   C1x C    28.7863  -22.4402
            7   C1y C    29.3030  -18.9395
            8   C1x C    27.2645  -17.7045
            9   C1z C    25.1692  -23.1277
            10  C1x C    27.5852  -23.1335
            11  C1x C    23.9612  -21.0312
            12  C1z C    28.8037  -17.7045
            13  C1y C    23.9612  -22.4285
            14  C1b C    24.8027  -24.4651
            15  C1a C    25.7280  -24.6751
            16  C1b C    30.1891  -17.7045
            17  O1a O    28.7920  -16.3190
            18  O1a O    22.7600  -23.1218
            19  O1a O    23.4582  -24.8200
            20  O1a O    30.1832  -16.3190
            21  C1z C    27.6020  -20.3347
            22  C1y C    28.7920  -21.0488
            23  C1x C    29.8466  -20.1365
            24  C1x C    27.9184  -18.9737
BOND        27
            1     1   5 1 #Up
            2    22   6 1
            3     2   8 1
            4     3   9 1
            5     3  10 1
            6     4  11 1
            7     7  12 1
            8     9  13 1
            9     9  14 1 #Down
            10    9  15 1 #Up
            11   12  16 1 #Down
            12   12  17 1 #Up
            13   13  18 1 #Down
            14   14  19 1
            15   16  20 1
            16    6  10 1
            17    8  12 1
            18   11  13 1
            19   21   1 1
            20   21   2 1
            21    1   3 1
            22   21  22 1
            23   22  23 1
            24   23   7 1
            25    7  24 1 #Up
            26   21  24 1 #Up
            27    1   4 1

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