KEGG   COMPOUND: C10501Help
Entry
C10501                      Compound                               

Name
Verbascoside;
Acteoside
Formula
C29H36O15
Exact mass
624.2054
Mol weight
624.5871
Structure
Mol fileKCF fileDB search
Brite
Glycosides [BR:br08021]
 O-glycosides
  Phenolic glycosides
   C10501  Verbascoside
BRITE hierarchy
Other DBs
CAS: 61276-17-3
PubChem: 12684
ChEBI: 132853
ChEMBL: CHEMBL1364101 CHEMBL444478
KNApSAcK: C00002783
3DMET: B03904
NIKKAJI: J128.644G
KCF data Show

ATOM        44
            1   C1y C    28.6116  -18.8593
            2   C1y C    27.4050  -18.1656
            3   O2a O    28.6058  -20.2639
            4   C1y C    29.8240  -18.1656
            5   C1y C    27.4050  -16.7667
            6   O7a O    26.1928  -18.8593
            7   C1y C    27.3993  -20.9633
            8   C1y C    29.8240  -16.7667
            9   O1a O    31.0363  -18.8650
            10  O2x O    28.6116  -16.0672
            11  C1b C    26.1928  -16.0615
            12  C7a C    24.9803  -18.1656
            13  C1y C    27.3993  -22.3680
            14  O2x O    26.1811  -20.2580
            15  O2a O    31.0305  -16.0672
            16  O1a O    26.1928  -14.6569
            17  C2b C    23.7680  -18.8593
            18  O6a O    24.9803  -16.7609
            19  C1y C    26.1811  -23.0674
            20  O1a O    28.6058  -23.0617
            21  C1y C    24.9629  -20.9633
            22  C1b C    32.2428  -16.7726
            23  C2b C    22.5615  -18.1656
            24  C1y C    24.9629  -22.3680
            25  O1a O    26.1868  -24.4663
            26  C1a C    23.7447  -20.2639
            27  C1b C    33.4551  -16.0732
            28  C8y C    21.3550  -18.8593
            29  O1a O    23.7506  -23.0674
            30  C8y C    34.6675  -16.7784
            31  C8x C    20.1427  -18.1656
            32  C8x C    21.3550  -20.2639
            33  C8x C    35.8857  -16.0789
            34  C8x C    34.6616  -18.1772
            35  C8y C    18.9245  -18.8593
            36  C8x C    20.1427  -20.9691
            37  C8y C    37.0980  -16.7900
            38  C8x C    35.8681  -18.8826
            39  C8y C    18.9245  -20.2639
            40  O1a O    17.7180  -18.1656
            41  C8y C    37.0863  -18.1889
            42  O1a O    38.3045  -16.0906
            43  O1a O    17.7180  -20.9691
            44  O1a O    38.2929  -18.8943
BOND        47
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     7   3 1 #Up
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1 #Up
            15   11  16 1
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   13  20 1 #Down
            20   14  21 1
            21   15  22 1
            22   17  23 2
            23   19  24 1
            24   19  25 1 #Down
            25   21  26 1 #Down
            26   22  27 1
            27   23  28 1
            28   24  29 1 #Up
            29   27  30 1
            30   28  31 1
            31   28  32 2
            32   30  33 2
            33   30  34 1
            34   31  35 2
            35   32  36 1
            36   33  37 1
            37   34  38 2
            38   35  39 1
            39   35  40 1
            40   37  41 2
            41   37  42 1
            42   39  43 1
            43   41  44 1
            44    8  10 1
            45   21  24 1
            46   36  39 2
            47   38  41 1

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