KEGG   COMPOUND: C13812
Entry
C13812                      Compound                               
Name
Clavulone II
Formula
C25H34O7
Exact mass
446.2305
Mol weight
446.5333
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0312 Clavulones
    C13812  Clavulone II
Other DBs
PubChem: 854057
ChEBI: 34643
LIPIDMAPS: LMFA03120002
KNApSAcK: C00043397
3DMET: B04587
NIKKAJI: J227.729H
LinkDB
KCF data

ATOM        32
            1   C2b C    27.6347  -17.1115
            2   C2b C    26.3967  -16.3799
            3   C2y C    25.1614  -17.2460
            4   C1z C    25.1553  -18.6825
            5   C5x C    23.7976  -16.8114
            6   C2x C    23.8155  -19.1230
            7   C1b C    26.2976  -19.6227
            8   C2x C    22.9644  -17.9761
            9   C2b C    27.5289  -18.9167
            10  O5x O    23.3451  -15.4494
            11  C2b C    28.9343  -18.9139
            12  C1b C    30.1322  -19.6050
            13  C1b C    31.3302  -18.9139
            14  C1b C    32.5283  -19.6050
            15  C1b C    33.7263  -18.9139
            16  C1a C    34.9245  -19.6050
            17  O7a O    25.1613  -20.1082
            18  C7a C    25.1613  -21.4261
            19  C1a C    24.0797  -22.0851
            20  O6a O    26.3372  -22.0851
            21  C2b C    28.8584  -16.4215
            22  C1c C    30.0622  -17.1330
            23  O7a O    31.2769  -17.8420
            24  C1b C    30.7667  -15.9247
            25  C1b C    32.1721  -15.9247
            26  C7a C    32.8747  -14.7068
            27  O6a O    34.2801  -14.7064
            28  O7a O    32.1717  -13.4900
            29  C1a C    32.8721  -12.2701
            30  C7a C    32.6788  -17.6059
            31  O6a O    33.3811  -16.4353
            32  C1a C    33.8025  -18.2147
BOND        32
            1     1   2 1
            2     3   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 1
            6     5   8 1
            7     7   9 1
            8     6   8 2
            9     2   3 2
            10    5  10 2
            11    9  11 2
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17    4  17 1 #Up
            18   17  18 1
            19   18  19 1
            20   18  20 2
            21    1  21 2
            22   21  22 1
            23   22  23 1 #Up
            24   22  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 2
            28   26  28 1
            29   28  29 1
            30   23  30 1
            31   30  31 2
            32   30  32 1

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