KEGG   COMPOUND: C20399
Entry
C20399                      Compound                               
Name
Pentalenolactone D
Formula
C15H20O4
Exact mass
264.1362
Mol weight
264.3169
Structure
Reaction
Pathway
map00998  Biosynthesis of various antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00819  Pentalenolactone biosynthesis, farnesyl-PP => pentalenolactone
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010374 Pentalenane sesquiterpenoids
     C20399  Pentalenolactone D
Other DBs
PubChem: 163312137
KCF data

ATOM        19
            1   C1z C    17.9093  -16.0632
            2   C1y C    19.0218  -16.8603
            3   C1y C    18.3395  -14.7498
            4   C1x C    16.5385  -16.0517
            5   C2y C    20.1344  -16.0574
            6   C1x C    17.2268  -13.9413
            7   C2x C    19.7100  -14.7498
            8   C1z C    16.1085  -14.7498
            9   C6a C    21.4420  -16.4818
            10  C1a C    14.7782  -13.9186
            11  C1a C    14.7780  -15.0996
            12  O6a O    22.4736  -15.5521
            13  O6a O    21.7356  -17.8574
            14  C1y C    16.6483  -16.7731
            15  C7x C    16.6511  -18.1509
            16  O7x O    17.9021  -18.9480
            17  C1x C    19.0247  -18.2382
            18  O6a O    15.4185  -18.8408
            19  C1a C    15.1611  -16.3466
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     8  10 1
            10    8  11 1
            11    5   7 2
            12    6   8 1
            13    9  12 2
            14    9  13 1
            15    1  14 1 #Down
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19    2  17 1
            20   15  18 2
            21   14  19 1 #Up

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