KEGG   COMPOUND: C10051Help
Entry
C10051                      Compound                               

Name
Gossypin;
Gossypetin 8-O-glucoside
Formula
C21H20O13
Exact mass
480.0904
Mol weight
480.3757
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 652-78-8
PubChem: 12237
ChEBI: 5525
ChEMBL: CHEMBL402915
KNApSAcK: C00005690
3DMET: B03494
NIKKAJI: J94.552H
KCF data Show

ATOM        34
            1   C8y C    26.2013  -21.7512
            2   C8y C    26.1955  -23.1428
            3   C8y C    25.0026  -21.0612
            4   O2x O    27.4117  -21.0612
            5   C8y C    27.4000  -23.8504
            6   C8y C    25.0026  -23.8445
            7   O2a O    24.9909  -19.6462
            8   C8y C    23.7981  -21.7512
            9   C8y C    28.6221  -21.7628
            10  C8y C    28.6104  -23.1545
            11  O5x O    27.3942  -25.2421
            12  C8x C    23.7981  -23.1428
            13  O1a O    25.0085  -25.2362
            14  C1y C    24.9968  -17.9621
            15  O1a O    22.5936  -21.0553
            16  C8y C    29.8268  -21.0728
            17  O1a O    29.8151  -23.8562
            18  O2x O    26.1955  -17.2779
            19  C1y C    23.7922  -17.2721
            20  C8x C    29.8268  -19.6870
            21  C8x C    31.0255  -21.7745
            22  C1y C    26.2013  -15.8804
            23  C1y C    23.7922  -15.8804
            24  O1a O    22.5877  -17.9621
            25  C8y C    31.0372  -18.9913
            26  C8x C    32.3000  -21.0904
            27  C1y C    24.9968  -15.1787
            28  C1b C    27.4059  -15.1845
            29  O1a O    22.5877  -15.1845
            30  C8y C    32.2359  -19.6987
            31  O1a O    31.0430  -17.5996
            32  O1a O    24.9968  -13.7871
            33  O1a O    28.6164  -15.8862
            34  O1a O    33.4463  -19.0030
BOND        37
            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     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13   14   7 1 #Up
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   14  18 1
            18   14  19 1
            19   16  20 1
            20   16  21 2
            21   18  22 1
            22   19  23 1
            23   19  24 1 #Down
            24   20  25 2
            25   21  26 1
            26   22  27 1
            27   22  28 1 #Up
            28   23  29 1 #Up
            29   25  30 1
            30   25  31 1
            31   27  32 1 #Down
            32   28  33 1
            33   30  34 1
            34    8  12 1
            35    9  10 2
            36   23  27 1
            37   26  30 2

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