KEGG   COMPOUND: C10365Help
Entry
C10365                      Compound                               

Name
Knipholone
Formula
C24H18O8
Exact mass
434.1002
Mol weight
434.3949
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C10365  Knipholone
BRITE hierarchy
Other DBs
CAS: 94450-08-5
PubChem: 12551
ChEBI: 6141
ChEMBL: CHEMBL514883
KNApSAcK: C00002834
3DMET: B03778
NIKKAJI: J759.760F
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8y C    26.5652  -16.1007
            2   C8y C    27.7718  -16.8061
            3   C8y C    26.5767  -14.7015
            4   C5x C    25.3525  -16.7945
            5   C8y C    27.7601  -18.9753
            6   C8y C    28.9785  -16.1182
            7   C5x C    25.3642  -13.9905
            8   C8y C    27.7951  -14.0079
            9   C8y C    24.1400  -16.0890
            10  O5x O    25.3525  -17.9136
            11  C8y C    28.9611  -19.6865
            12  C8y C    26.5359  -19.6689
            13  C8x C    28.9961  -14.7191
            14  C1a C    30.1912  -16.8295
            15  C8y C    24.1458  -14.6899
            16  O5x O    25.3701  -12.5913
            17  O1a O    27.8068  -12.6087
            18  C8x C    22.9333  -16.7886
            19  C8y C    29.0137  -21.0914
            20  O1a O    30.1795  -18.9927
            21  C8x C    26.5243  -21.0681
            22  C8y C    22.9333  -13.9845
            23  C8x C    21.7206  -16.0890
            24  C8y C    27.7310  -21.7793
            25  C5a C    30.1503  -21.7910
            26  C8x C    21.7206  -14.6899
            27  O1a O    22.9390  -12.5854
            28  O2a O    27.7194  -23.1784
            29  C1a C    31.3687  -21.1088
            30  O5a O    30.1386  -23.1959
            31  C1a C    26.5009  -23.8721
            32  O1a O    25.3254  -19.0267
BOND        35
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    8  17 1
            17    9  18 1
            18   11  19 2
            19   11  20 1
            20   12  21 1
            21   15  22 1
            22   18  23 2
            23   19  24 1
            24   19  25 1
            25   22  26 2
            26   22  27 1
            27   24  28 1
            28   25  29 1
            29   25  30 2
            30   28  31 1
            31    8  13 2
            32    9  15 2
            33   21  24 2
            34   23  26 1
            35   12  32 1

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