KEGG   COMPOUND: C10308
Entry
C10308                      Compound                               
Name
Cassiamin C
Formula
C30H18O8
Exact mass
506.1002
Mol weight
506.4591
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C10308  Cassiamin C
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C10308  Cassiamin C
Other DBs
CAS: 27567-11-9
PubChem: 12494
ChEBI: 3455
KNApSAcK: C00002800
3DMET: B03728
NIKKAJI: J19.775K
LinkDB
KCF data

ATOM        38
            1   C8y C    23.5048  -17.5412
            2   C8y C    23.5165  -16.1423
            3   C8y C    24.7114  -18.2464
            4   C5x C    22.2925  -18.2347
            5   C5x C    22.3042  -15.4312
            6   C8x C    24.7347  -15.4486
            7   C8y C    25.9996  -17.5586
            8   O1a O    24.6940  -19.6453
            9   C8y C    21.0802  -17.5295
            10  O5x O    22.2925  -19.6337
            11  C8y C    21.0859  -16.1306
            12  O5x O    22.3099  -14.0322
            13  C8y C    25.9413  -16.1656
            14  C8y C    27.1304  -18.2697
            15  C8y C    19.8794  -18.2290
            16  C8x C    19.8794  -15.4252
            17  C1a C    27.1537  -15.4719
            18  C8y C    28.3427  -17.5762
            19  C8y C    27.1828  -19.6687
            20  C8x C    18.6612  -17.5295
            21  O1a O    19.8794  -19.6337
            22  C8x C    18.6612  -16.1306
            23  C8y C    29.5552  -18.2871
            24  O1a O    28.3544  -16.1773
            25  C8x C    28.3194  -20.3798
            26  C1a C    25.8946  -20.3564
            27  C8y C    29.5376  -19.6861
            28  C5x C    30.7732  -17.5993
            29  C5x C    30.7501  -20.4031
            30  C8y C    31.9857  -18.3105
            31  O5x O    30.7908  -16.2006
            32  C8y C    31.9624  -19.7094
            33  O5x O    30.7384  -21.8020
            34  C8y C    33.2039  -17.6286
            35  C8x C    33.1630  -20.4264
            36  C8x C    34.4105  -18.3455
            37  O1a O    33.1573  -16.2297
            38  C8x C    34.4572  -19.7444
BOND        43
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15   11  16 1
            16   13  17 1
            17   14  18 2
            18   14  19 1
            19   15  20 2
            20   15  21 1
            21   16  22 2
            22   18  23 1
            23   18  24 1
            24   19  25 2
            25   19  26 1
            26   23  27 2
            27   23  28 1
            28   27  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 1
            32   29  33 2
            33   30  34 1
            34   32  35 1
            35   34  36 2
            36   34  37 1
            37   35  38 2
            38    7  13 1
            39    9  11 2
            40   20  22 1
            41   25  27 1
            42   30  32 2
            43   36  38 1

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