KEGG   COMPOUND: C10392
Entry
C10392                      Compound                               

Name
Pseudohypericin
Formula
C30H16O9
Exact mass
520.0794
Mol weight
520.4426
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C10392  Pseudohypericin
Other DBs
CAS: 55954-61-5
PubChem: 12578
ChEBI: 8605
ChEMBL: CHEMBL1614664
LIPIDMAPS: LMPK13040014
KNApSAcK: C00002855
3DMET: B03805
NIKKAJI: J393.133A
KCF data

ATOM        39
            1   C8y C    24.2721  -18.2310
            2   C8y C    24.2779  -16.8330
            3   C8y C    25.4711  -18.9269
            4   C8y C    23.0614  -18.9269
            5   C8y C    25.4885  -16.1429
            6   C8y C    23.0674  -16.1371
            7   C8y C    26.6875  -18.2367
            8   C8y C    25.4594  -20.3306
            9   C8y C    21.8567  -18.2310
            10  C8y C    23.0614  -20.3189
            11  C8y C    26.6992  -16.8390
            12  C8y C    25.5002  -14.7392
            13  C8y C    21.8508  -16.8273
            14  C8y C    23.0731  -14.7275
            15  C8y C    27.8924  -18.9503
            16  C5x C    24.2662  -21.0148
            17  C8y C    26.6641  -21.0324
            18  C8y C    20.6518  -18.9269
            19  C8y C    21.8508  -21.0090
            20  C8y C    27.9216  -16.1605
            21  C5x C    24.2955  -14.0257
            22  C8y C    26.7226  -14.0433
            23  C8y C    20.6343  -16.1371
            24  C8y C    21.8567  -14.0199
            25  C8x C    27.8807  -20.3540
            26  C1b C    29.1205  -18.2601
            27  O5x O    24.2604  -22.4244
            28  O1a O    26.6466  -22.4418
            29  C8x C    20.6460  -20.3129
            30  O1a O    19.4354  -18.2133
            31  O1a O    21.8508  -22.4127
            32  C8x C    27.9333  -14.7626
            33  C1a C    29.1322  -16.8741
            34  O5x O    24.3013  -12.6222
            35  O1a O    26.7343  -12.6396
            36  C8x C    20.6343  -14.7275
            37  O1a O    19.4177  -16.8330
            38  O1a O    21.8567  -12.6162
            39  O1a O    30.3312  -18.9737
BOND        46
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 2
            14    7  15 2
            15    8  16 1
            16    8  17 1
            17    9  18 2
            18   10  19 1
            19   11  20 2
            20   12  21 1
            21   12  22 1
            22   13  23 2
            23   14  24 1
            24   15  25 1
            25   15  26 1
            26   16  27 2
            27   17  28 1
            28   18  29 1
            29   18  30 1
            30   19  31 1
            31   20  32 1
            32   20  33 1
            33   21  34 2
            34   22  35 1
            35   23  36 1
            36   23  37 1
            37   24  38 1
            38   26  39 1
            39    7  11 1
            40    9  13 1
            41   10  16 1
            42   14  21 1
            43   17  25 2
            44   19  29 2
            45   22  32 2
            46   24  36 2

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