KEGG   COMPOUND: C10349Help
Entry
C10349                      Compound                               

Name
Frangulin B
Formula
C20H18O9
Exact mass
402.0951
Mol weight
402.3515
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C10349  Frangulin B
Glycosides [BR:br08021]
 O-glycosides
  Anthraquinone glycosides
   C10349  Frangulin B
BRITE hierarchy
Other DBs
CAS: 14101-04-3
PubChem: 12535
ChEBI: 5168
ChEMBL: CHEMBL496999
KNApSAcK: C00002825
3DMET: B03764
NIKKAJI: J216.865K
KCF data Show

ATOM        29
            1   C8y C    28.1047  -18.2932
            2   C8y C    28.0404  -16.8879
            3   C5x C    29.2475  -18.9989
            4   C8x C    26.8276  -18.9930
            5   C5x C    29.2592  -16.1939
            6   C8y C    26.8276  -16.1881
            7   C8y C    30.4604  -18.2991
            8   O5x O    29.2418  -20.4042
            9   C8y C    25.6088  -18.2932
            10  C8y C    30.4721  -16.8996
            11  O5x O    29.2649  -14.7945
            12  C8x C    25.6088  -16.8879
            13  O1a O    26.8333  -14.7886
            14  C8x C    31.6617  -19.0106
            15  O2a O    24.3958  -18.9930
            16  C8y C    31.6908  -16.2115
            17  C8y C    32.8746  -18.3165
            18  C1y C    23.1829  -18.2875
            19  C8x C    32.8863  -16.9229
            20  O1a O    31.7025  -14.8119
            21  C1a C    34.0817  -19.0339
            22  O2x O    23.0394  -16.8761
            23  C1x C    21.6528  -16.5765
            24  C1z C    20.9393  -17.8027
            25  C1y C    21.8850  -18.8601
            26  O1a O    21.5971  -20.1946
            27  O1a O    19.9494  -18.7926
            28  C1b C    19.8132  -16.9358
            29  O1a O    18.5147  -17.4712
BOND        32
            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    9  15 1
            15   10  16 1
            16   14  17 2
            17   18  15 1 #Up
            18   16  19 2
            19   16  20 1
            20   17  21 1
            21    7  10 2
            22    9  12 1
            23   17  19 1
            24   18  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   18  25 1
            29   25  26 1 #Down
            30   24  27 1 #Down
            31   24  28 1 #Up
            32   28  29 1

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