KEGG   COMPOUND: C13813
Entry
C13813                      Compound                               
Name
Clavulone III
Formula
C25H34O7
Exact mass
446.2305
Mol weight
446.5333
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0312 Clavulones
    C13813  Clavulone III
Other DBs
PubChem: 854058
ChEBI: 34644
LIPIDMAPS: LMFA03120003
KNApSAcK: C00043398
3DMET: B04588
NIKKAJI: J147.200C
LinkDB
KCF data

ATOM        32
            1   C2b C    26.3716  -17.4256
            2   C2y C    25.1213  -18.2592
            3   C1z C    25.1213  -19.6947
            4   C5x C    23.7784  -17.8424
            5   C2x C    23.7784  -20.1578
            6   C1b C    26.2790  -20.6209
            7   C2x C    22.9448  -19.0001
            8   C2b C    27.4830  -19.9262
            9   O5x O    23.3153  -16.4995
            10  C2b C    28.9186  -19.9262
            11  C1b C    30.0762  -20.6209
            12  C1b C    31.2802  -19.9262
            13  C1b C    32.4843  -20.6209
            14  C1b C    33.6882  -19.9262
            15  C1a C    34.8922  -20.6209
            16  O7a O    25.1213  -21.1302
            17  C7a C    25.1213  -22.4269
            18  C1a C    24.0563  -23.0751
            19  O6a O    26.3253  -23.0751
            20  C2b C    26.3716  -16.0365
            21  C2b C    27.5756  -15.3418
            22  C1c C    27.5756  -13.9527
            23  C1b C    28.7796  -13.2580
            24  C1b C    29.9837  -13.9527
            25  C7a C    31.2340  -13.2580
            26  O7a O    26.3726  -13.2578
            27  C7a C    25.1537  -13.9614
            28  C1a C    23.9304  -13.2550
            29  O6a O    25.1535  -15.3473
            30  O6a O    32.4136  -13.9654
            31  O7a O    31.2106  -11.8518
            32  C1a C    32.4810  -11.1721
BOND        32
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     3   6 1
            5     4   7 1
            6     6   8 1
            7     5   7 2
            8     1   2 2
            9     4   9 2
            10    8  10 2
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    3  16 1 #Up
            17   16  17 1
            18   17  18 1
            19   17  19 2
            20    1  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   22  26 1 #Down
            27   26  27 1
            28   27  28 1
            29   27  29 2
            30   25  30 2
            31   25  31 1
            32   31  32 1

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