COMPOUND: C16803


Entry
C16803                      Compound                               
Name
Glucofrangulin B
Formula
C26H28O14
Exact mass
564.1479
Mol weight
564.4921
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C16803  Glucofrangulin B
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C16803  Glucofrangulin B
Glycosides [BR:br08021]
 O-glycosides
  Anthraquinone glycosides
   C16803  Glucofrangulin B
Other DBs
CAS: 14062-59-0
PubChem: 96023327
ChEBI: 80740
NIKKAJI: J216.844H
KCF data

ATOM        40
            1   C8y C    28.9529  -24.8674
            2   C8y C    28.9529  -23.5318
            3   C5x C    30.1480  -25.5704
            4   C8x C    27.6876  -25.5704
            5   C5x C    30.1480  -22.8288
            6   C8y C    27.6876  -22.8288
            7   C8y C    31.3431  -24.8674
            8   O5x O    30.1480  -26.9764
            9   C8y C    26.4925  -24.8674
            10  C8y C    31.3431  -23.5318
            11  O5x O    30.1480  -21.4228
            12  C8x C    26.4925  -23.5318
            13  O2a O    27.6876  -21.4228
            14  C8x C    32.4679  -25.5704
            15  C8y C    32.5382  -22.8991
            16  C8y C    33.7333  -24.9377
            17  C8x C    33.7333  -23.6021
            18  O1a O    32.5382  -21.4931
            19  C1a C    34.9283  -25.6407
            20  C1y C    26.4925  -19.8059
            21  O2x O    26.4925  -18.4000
            22  C1y C    25.2974  -17.6970
            23  C1y C    24.1024  -18.4000
            24  C1y C    24.1024  -19.8059
            25  C1y C    25.2974  -20.5089
            26  O1a O    22.9073  -20.5089
            27  C1b C    25.2974  -16.2910
            28  O1a O    22.9073  -17.6970
            29  O1a O    25.2974  -21.9149
            30  O1a O    26.4925  -15.6584
            31  O2a O    25.2753  -25.5637
            32  C1z C    24.0950  -24.8758
            33  C1x C    23.9548  -23.4864
            34  O2x O    22.5901  -23.1905
            35  C1x C    21.8869  -24.3969
            36  C1z C    22.8169  -25.4385
            37  O1a O    24.0156  -26.2780
            38  O1a O    22.5182  -26.8170
            39  C1b C    21.4148  -25.4385
            40  O1a O    20.7065  -24.2110
BOND        44
            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 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14   10  15 1
            15   14  16 2
            16   15  17 2
            17   15  18 1
            18   16  19 1
            19    7  10 2
            20    9  12 1
            21   16  17 1
            22   20  13 1 #Up
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29   24  26 1 #Up
            30   22  27 1 #Up
            31   23  28 1 #Down
            32   25  29 1 #Down
            33   27  30 1
            34    9  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   32  36 1
            41   32  37 1 #Down
            42   36  38 1
            43   36  39 1 #Up
            44   39  40 1

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Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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