KEGG   COMPOUND: C13810
Entry
C13810                      Compound                               
Name
Clavulone I;
Claviridenone d
Formula
C25H34O7
Exact mass
446.2305
Mol weight
446.5333
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0312 Clavulones
    C13810  Clavulone I
Other DBs
CAS: 85700-42-1
PubChem: 854055
ChEBI: 34642
LIPIDMAPS: LMFA03120001
KNApSAcK: C00043396
3DMET: B04586
NIKKAJI: J227.731J
KCF data

ATOM        32
            1   C2b C    21.7504  -16.1850
            2   C2b C    23.1678  -16.1850
            3   C1c C    24.3973  -15.4581
            4   C1b C    25.6209  -16.1668
            5   C1b C    26.8567  -15.4521
            6   C2b C    20.5059  -15.4496
            7   C2y C    19.2642  -16.3202
            8   C1z C    19.2581  -17.7642
            9   C5x C    17.8933  -15.8833
            10  C2x C    17.9113  -18.2069
            11  C1b C    20.4063  -18.7093
            12  C2x C    17.0558  -17.0541
            13  C2b C    21.6440  -17.9996
            14  O5x O    17.4385  -14.5143
            15  O7a O    24.3909  -14.0183
            16  C2b C    23.0566  -17.9967
            17  C1b C    24.2608  -18.6914
            18  C1b C    25.4651  -17.9967
            19  C1b C    26.6694  -18.6914
            20  C1b C    27.8736  -17.9967
            21  C1a C    29.0780  -18.6914
            22  C7a C    28.0615  -16.1672
            23  O7a O    29.2857  -15.4610
            24  O6a O    28.0615  -17.4384
            25  C1a C    30.5099  -16.1671
            26  O7a O    19.2641  -19.1973
            27  C7a C    19.2641  -20.5220
            28  C1a C    18.1769  -21.1844
            29  O6a O    20.4461  -21.1844
            30  C7a C    24.3738  -12.7155
            31  C1a C    23.2781  -12.0682
            32  O6a O    25.5471  -12.0383
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   6 1
            6     7   8 1
            7     7   9 1
            8     8  10 1
            9     8  11 1
            10    9  12 1
            11   11  13 1
            12   10  12 2
            13    6   7 2
            14    9  14 2
            15    3  15 1 #Down
            16   13  16 2
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22    5  22 1
            23   22  23 1
            24   22  24 2
            25   23  25 1
            26    8  26 1 #Up
            27   26  27 1
            28   27  28 1
            29   27  29 2
            30   15  30 1
            31   30  31 1
            32   30  32 2

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