KEGG   COMPOUND: C10039Help
Entry
C10039                      Compound                               

Name
Diosmin;
Diosmetin 7-O-rutinoside
Formula
C28H32O15
Exact mass
608.1741
Mol weight
608.5447
Structure
Mol fileKCF fileDB search
Remark
Same as: D07858
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C10039  Diosmin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavones and flavonols
    C10039  Diosmin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05C CAPILLARY STABILIZING AGENTS
    C05CA Bioflavonoids
     C05CA03 Diosmin
      D07858  Diosmin (INN)
BRITE hierarchy
Other DBs
CAS: 520-27-4
PubChem: 12225
ChEBI: 4631
ChEMBL: CHEMBL231884
KNApSAcK: C00004362
3DMET: B03482
NIKKAJI: J6.600A
KCF data Show

ATOM        43
            1   C8y C    32.0778  -18.2254
            2   C8y C    32.0835  -16.8373
            3   C8y C    33.2791  -18.9312
            4   C8y C    30.8879  -18.9253
            5   O2x O    33.2908  -16.1493
            6   C8x C    30.8879  -16.1493
            7   C8x C    34.4807  -18.2370
            8   O5x O    33.2734  -20.3193
            9   C8x C    29.6808  -18.2254
            10  O1a O    30.8879  -20.3133
            11  C8y C    34.4864  -16.8490
            12  C8y C    29.6808  -16.8373
            13  O2a O    28.4793  -16.1433
            14  C1y C    27.1029  -16.8432
            15  O2x O    25.9073  -16.1550
            16  C1y C    27.1029  -18.2313
            17  C1y C    24.6943  -16.8432
            18  C1y C    25.9073  -18.9312
            19  O1a O    28.3044  -18.9312
            20  C1y C    24.6943  -18.2313
            21  C1b C    23.4927  -16.1550
            22  O1a O    25.9073  -20.3193
            23  O1a O    23.4927  -18.9312
            24  C8y C    35.6983  -16.1574
            25  C8x C    35.6937  -14.7786
            26  C8x C    36.8952  -16.8606
            27  C8y C    36.9069  -14.0846
            28  C8x C    38.0966  -16.1783
            29  C8y C    38.1025  -14.7903
            30  O1a O    36.9126  -12.6966
            31  O2a O    39.3098  -14.0963
            32  C1a C    40.5052  -14.7962
            33  O2a O    22.2797  -16.8567
            34  C1y C    18.3898  -17.7053
            35  C1y C    18.3898  -19.1006
            36  C1y C    19.6011  -19.7983
            37  C1y C    20.8054  -19.1006
            38  C1y C    20.8054  -17.7053
            39  O2x O    19.6011  -17.0076
            40  C1a C    17.1818  -17.0071
            41  O1a O    17.1818  -19.7990
            42  O1a O    19.6030  -21.1937
            43  O1a O    22.0143  -19.7975
BOND        47
            1    17  20 1
            2    17  21 1 #Up
            3    18  22 1 #Up
            4    20  23 1 #Down
            5     7  11 2
            6     9  12 1
            7    18  20 1
            8    11  24 1
            9     1   2 2
            10    1   3 1
            11    1   4 1
            12    2   5 1
            13    2   6 1
            14    3   7 1
            15    3   8 2
            16    4   9 2
            17   24  25 1
            18   24  26 2
            19   25  27 2
            20   26  28 1
            21   27  29 1
            22   27  30 1
            23   29  31 1
            24   31  32 1
            25   28  29 2
            26   21  33 1
            27    4  10 1
            28    5  11 1
            29    6  12 2
            30   12  13 1
            31   14  13 1 #Up
            32   14  15 1
            33   34  35 1
            34   35  36 1
            35   36  37 1
            36   37  38 1
            37   38  39 1
            38   39  34 1
            39   38  33 1 #Up
            40   14  16 1
            41   34  40 1 #Down
            42   15  17 1
            43   35  41 1 #Up
            44   16  18 1
            45   36  42 1 #Down
            46   16  19 1 #Down
            47   37  43 1 #Down

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