KEGG   COMPOUND: C12048
Entry
C12048                      Compound                               
Name
Griseorhodin A
Formula
C25H16O12
Exact mass
508.0642
Mol weight
508.3873
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1302 Naphthalenes and naphthoquinones
    C12048  Griseorhodin A
Other DBs
CAS: 11048-91-2
PubChem: 14203
ChEBI: 29606
LIPIDMAPS: LMPK13020001
3DMET: B05604
NIKKAJI: J14.587D
LinkDB
KCF data

ATOM        37
            1   O2x O    26.0800  -17.3507
            2   C1z C    25.3797  -18.5636
            3   C2y C    18.3634  -17.8609
            4   C2x C    18.3634  -19.2615
            5   C5x C    19.5794  -19.9619
            6   C5x C    19.5794  -17.1606
            7   C8y C    20.7881  -17.8609
            8   C8y C    20.7900  -19.2615
            9   C8y C    22.0039  -19.9603
            10  C8y C    22.0002  -17.1591
            11  C8y C    23.2140  -17.8579
            12  C8y C    23.2128  -19.2656
            13  C1y C    24.5513  -19.7019
            14  O2x O    24.5534  -17.4241
            15  C8y C    27.4806  -17.3507
            16  C8y C    28.1740  -18.5646
            17  C8x C    29.5719  -18.5712
            18  C8y C    28.1852  -16.1431
            19  C8y C    29.5833  -16.1498
            20  C8y C    30.2732  -17.3594
            21  C8x C    31.6657  -17.3667
            22  C8y C    32.3684  -16.1644
            23  O7x O    31.6784  -14.9547
            24  C8y C    30.2858  -14.9474
            25  C1a C    33.7688  -16.1717
            26  O6a O    29.5919  -13.7308
            27  O5x O    19.5811  -15.7600
            28  O5x O    19.5807  -21.3625
            29  O1a O    22.0034  -21.3610
            30  O1a O    21.9985  -15.7584
            31  O1a O    24.5389  -21.1009
            32  C1y C    27.4806  -19.7766
            33  C1y C    26.0788  -19.7829
            34  O2x O    26.7929  -20.9946
            35  O1a O    27.4906  -14.9271
            36  O2a O    17.1507  -17.1601
            37  C1a C    15.9375  -17.8597
BOND        43
            1    15  16 2
            2    16  17 1
            3    17  20 2
            4    19  18 2
            5    18  15 1
            6    32  16 1
            7    15   1 1
            8     7   8 2
            9     8   9 1
            10    9  12 2
            11   11  10 2
            12   19  20 1
            13   20  21 1
            14   21  22 2
            15   22  23 1
            16   23  24 1
            17   24  19 1
            18   10   7 1
            19   22  25 1
            20    1   2 1
            21   24  26 2
            22    3  36 1
            23    3   4 2
            24    6  27 2
            25    4   5 1
            26    5  28 2
            27    5   8 1
            28    9  29 1
            29   11  12 1
            30   10  30 1
            31   12  13 1
            32   13  31 1
            33   13   2 1
            34    2  14 1
            35   14  11 1
            36   32  33 1
            37   32  34 1
            38   34  33 1
            39    7   6 1
            40   18  35 1
            41    6   3 1
            42    2  33 1
            43   36  37 1

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