KEGG   COMPOUND: C02879
Entry
C02879                      Compound                               
Name
Protoaphin aglucone;
Protoaphin aglycone
Formula
C30H28O11
Exact mass
564.1632
Mol weight
564.5367
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1303 Benzoisochromanquinones
    C02879  Protoaphin aglucone
Other DBs
PubChem: 5810
ChEBI: 15795
NIKKAJI: J2.740.827C
LinkDB
KCF data

ATOM        41
            1   C5x C    28.3632  -20.6716
            2   C8y C    27.1371  -19.9693
            3   C8x C    28.3632  -23.3237
            4   C2y C    29.5889  -19.9757
            5   C8y C    25.9176  -20.6780
            6   C8y C    27.1371  -18.5645
            7   C8y C    27.1562  -24.0132
            8   C8y C    29.5636  -24.0195
            9   C1y C    30.8342  -20.6780
            10  C2y C    29.5826  -18.5518
            11  C8y C    25.9176  -23.3237
            12  C8y C    24.7172  -19.9693
            13  C5x C    28.3567  -17.8495
            14  C8y C    25.9176  -17.8684
            15  C8y C    27.1627  -25.3221
            16  O1a O    30.8278  -22.0572
            17  C8x C    29.5571  -25.4051
            18  C1y C    32.0665  -19.9630
            19  C1y C    30.8022  -17.8239
            20  C8y C    24.7109  -24.0195
            21  O1a O    23.5105  -21.9188
            22  C8x C    24.7172  -18.5645
            23  O5x O    28.3504  -16.4575
            24  O1a O    25.9176  -16.4766
            25  C8y C    25.8921  -26.1012
            26  C8y C    28.2928  -26.1458
            27  O2x O    32.0472  -18.5262
            28  C1a C    33.2795  -20.6460
            29  C1a C    30.7894  -16.4383
            30  C1y C    23.5040  -23.3044
            31  C8y C    24.6981  -25.3923
            32  O1a O    25.8793  -27.4866
            33  O1a O    28.2737  -27.5314
            34  C1y C    22.3037  -23.9811
            35  C1y C    23.4849  -26.0757
            36  O2x O    22.3292  -25.3733
            37  C1a C    21.1096  -23.2725
            38  C1a C    23.4721  -27.4610
            39  O1a O    30.7760  -23.3195
            40  O1a O    23.5048  -20.6693
            41  O5x O    28.3632  -22.0716
BOND        46
            1     1   2 1
            2     1   4 1
            3     2   5 1
            4     2   6 2
            5     3   7 1
            6     3   8 2
            7     4   9 1
            8     4  10 2
            9     5  11 1
            10    5  12 2
            11    6  13 1
            12    6  14 1
            13    7  15 2
            14    8  17 1
            15    9  18 1
            16   10  19 1
            17   11  20 2
            18   12  22 1
            19   13  23 2
            20   14  24 1
            21   15  25 1
            22   15  26 1
            23   18  27 1
            24   18  28 1 #Down
            25   19  29 1 #Up
            26   20  30 1
            27   20  31 1
            28   25  32 1
            29   26  33 1
            30   30  34 1
            31   31  35 1
            32   34  36 1
            33   34  37 1 #Down
            34   35  38 1 #Up
            35    7  11 1
            36    9  16 1 #Up
            37   10  13 1
            38   14  22 2
            39   17  26 2
            40   19  27 1
            41   30  21 1 #Up
            42   25  31 2
            43   35  36 1
            44    8  39 1
            45   12  40 1
            46    1  41 2

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