KEGG   COMPOUND: C21833Help
Entry
C21833                      Compound                               

Name
Kaempferol-3-O-rutinoside;
Nictoflorin
Formula
C27H30O15
Exact mass
594.1585
Mol weight
594.5181
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
CAS: 17650-84-9
ChEMBL: CHEMBL498879
KCF data Show

ATOM        42
            1   C8y C    13.6484  -13.0884
            2   C8x C    13.6484  -14.4883
            3   C8y C    14.8382  -15.1882
            4   C8x C    14.8382  -12.3885
            5   C8y C    16.0281  -13.0884
            6   C8y C    16.0281  -14.4883
            7   C8y C    17.2179  -15.1882
            8   C8y C    18.4778  -14.4883
            9   C8y C    18.4778  -13.0884
            10  O2x O    17.2879  -12.3885
            11  C8y C    19.6677  -12.3885
            12  C8x C    20.8575  -13.0884
            13  C8x C    22.0474  -12.4585
            14  C8y C    22.0474  -11.0587
            15  C8x C    20.8575  -10.3588
            16  C8x C    19.6677  -11.0587
            17  O1a O    14.8382  -16.5880
            18  O1a O    12.4585  -12.3885
            19  O5x O    17.2179  -16.5880
            20  O1a O    23.2372  -10.3588
            21  O2a O    19.8076  -15.1882
            22  C1y C    21.2775  -16.5180
            23  O2x O    21.2775  -17.8479
            24  C1y C    22.4673  -18.5478
            25  C1y C    23.6572  -17.8479
            26  C1y C    23.6572  -16.5180
            27  C1y C    22.4673  -15.8181
            28  O1a O    22.4673  -14.4183
            29  O1a O    24.8470  -15.8181
            30  O1a O    24.8470  -18.5478
            31  C1b C    22.4673  -19.9476
            32  O2a O    21.2075  -20.6475
            33  C1y C    20.0176  -19.9476
            34  O2x O    20.0176  -18.5478
            35  C1y C    18.8278  -17.8479
            36  C1y C    17.6379  -18.5478
            37  C1y C    17.6379  -19.9476
            38  C1y C    18.8278  -20.6475
            39  C1a C    18.8278  -16.4480
            40  O1a O    16.4480  -17.8479
            41  O1a O    16.4480  -20.6475
            42  O1a O    18.8278  -22.0474
BOND        46
            1     9  10 1
            2    10   5 1
            3     8  21 1
            4    22  21 1 #Up
            5     9  11 1
            6     1   2 2
            7     2   3 1
            8     3   6 2
            9     5   4 2
            10   22  23 1
            11   23  24 1
            12   24  25 1
            13   25  26 1
            14   26  27 1
            15   27  22 1
            16    4   1 1
            17   27  28 1 #Down
            18   11  12 2
            19   26  29 1 #Up
            20   12  13 1
            21   25  30 1 #Down
            22   13  14 2
            23   24  31 1 #Up
            24   14  15 1
            25   31  32 1
            26   15  16 2
            27   33  32 1 #Up
            28   16  11 1
            29    5   6 1
            30    3  17 1
            31    6   7 1
            32    1  18 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  33 1
            39    7   8 1
            40   35  39 1 #Down
            41    7  19 2
            42   36  40 1 #Up
            43    8   9 2
            44   37  41 1 #Down
            45   14  20 1
            46   38  42 1 #Down

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