KEGG   COMPOUND: C10513Help
Entry
C10513                      Compound                               

Name
Paniculatin
Formula
C27H30O15
Exact mass
594.1585
Mol weight
594.5181
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C10513  Paniculatin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C10513  Paniculatin
BRITE hierarchy
Other DBs
CAS: 32361-88-9
PubChem: 12696
ChEBI: 7910
KNApSAcK: C00002557
3DMET: B03916
NIKKAJI: J17.747D
LinkDB All DBs
KCF data Show

ATOM        42
            1   C1y C    24.8434  -15.5594
            2   C1y C    23.6429  -14.8403
            3   C1y C    23.6699  -13.4400
            4   C1y C    24.8970  -12.7600
            5   C1y C    26.0969  -13.4869
            6   O2x O    26.0697  -14.8872
            7   O1a O    22.4234  -15.5140
            8   O1a O    22.4771  -12.7132
            9   O1a O    24.9241  -11.3599
            10  C1b C    27.3241  -12.8070
            11  O1a O    27.3486  -11.4138
            12  C8y C    24.8164  -16.9553
            13  C8y C    26.0118  -17.6586
            14  C8y C    23.5948  -17.6586
            15  C8y C    26.0059  -19.0621
            16  O2x O    27.2290  -16.9654
            17  C8y C    23.5890  -19.0621
            18  O1a O    22.3718  -16.9597
            19  C8y C    24.8120  -19.7610
            20  C8y C    27.2174  -19.7669
            21  C8x C    28.4344  -17.6702
            22  C1y C    22.3659  -19.7610
            23  O1a O    24.8120  -21.0245
            24  C8y C    28.4287  -19.0737
            25  O5x O    27.2115  -21.1645
            26  O2x O    21.1604  -19.0621
            27  C1y C    22.3659  -21.1645
            28  C8y C    29.6400  -19.7785
            29  C1y C    19.9491  -19.7610
            30  C1y C    21.1604  -21.8576
            31  O1a O    23.5890  -21.8576
            32  C8x C    29.6283  -21.1761
            33  C8x C    30.8514  -19.0796
            34  C1y C    19.9491  -21.1645
            35  C1b C    18.7319  -19.0621
            36  O1a O    21.1604  -23.2611
            37  C8x C    30.8398  -21.8809
            38  C8x C    32.0627  -19.7900
            39  O1a O    18.7319  -21.8576
            40  O1a O    17.5206  -19.7610
            41  C8y C    32.0570  -21.1878
            42  O1a O    33.2683  -21.8926
BOND        46
            1     4   5 1
            2     5   6 1
            3     6   1 1
            4     2   7 1 #Down
            5     3   8 1 #Up
            6     4   9 1 #Down
            7     5  10 1 #Up
            8    10  11 1
            9     1  12 1 #Up
            10    1   2 1
            11    2   3 1
            12    3   4 1
            13   12  13 1
            14   12  14 2
            15   13  15 2
            16   13  16 1
            17   14  17 1
            18   14  18 1
            19   15  19 1
            20   15  20 1
            21   16  21 1
            22   22  17 1 #Up
            23   19  23 1
            24   20  24 1
            25   20  25 2
            26   22  26 1
            27   22  27 1
            28   24  28 1
            29   26  29 1
            30   27  30 1
            31   27  31 1 #Down
            32   28  32 2
            33   28  33 1
            34   29  34 1
            35   29  35 1 #Up
            36   30  36 1 #Up
            37   32  37 1
            38   33  38 2
            39   34  39 1 #Down
            40   35  40 1
            41   37  41 2
            42   41  42 1
            43   17  19 2
            44   21  24 2
            45   30  34 1
            46   38  41 1

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