KEGG   COMPOUND: C09189Help
Entry
C09189                      Compound                               

Name
Stevioside
Formula
C38H60O18
Exact mass
804.378
Mol weight
804.8722
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01062  Biosynthesis of terpenoids and steroids
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Kaurenes
    C09189  Stevioside
BRITE hierarchy
Other DBs
CAS: 57817-89-7
PubChem: 11381
ChEBI: 9271
ChEMBL: CHEMBL444122
KNApSAcK: C00003485
3DMET: B02755
NIKKAJI: J27.441K
KCF data Show

ATOM        56
            1   O7a O    26.3804  -23.1358
            2   C1y C    25.1797  -23.8419
            3   O2x O    23.9774  -23.1687
            4   C1y C    25.2071  -25.2285
            5   C1y C    22.7931  -23.8625
            6   C1y C    24.0078  -25.9206
            7   O1a O    26.4145  -25.9045
            8   C1y C    22.8024  -25.2525
            9   C1b C    21.5857  -23.1865
            10  O1a O    24.0259  -27.3091
            11  O1a O    21.6108  -25.9571
            12  O1a O    20.4032  -23.8959
            13  C1z C    30.1018  -18.5058
            14  C1y C    28.9267  -17.7980
            15  C1x C    31.3074  -17.8227
            16  C1x C    30.1018  -19.8838
            17  C1z C    27.7213  -18.4941
            18  C1x C    28.9324  -16.4200
            19  C1z C    31.2560  -16.4445
            20  C1x C    28.9150  -20.5657
            21  C1y C    27.7096  -19.8781
            22  C1x C    26.5216  -17.7923
            23  C1a C    27.7096  -17.1102
            24  C1x C    30.1322  -15.7440
            25  O2a O    31.3141  -15.0242
            26  C1z C    26.5225  -20.5654
            27  C1x C    25.3149  -18.4941
            28  C1y C    32.5655  -14.2148
            29  C1x C    25.3149  -19.8781
            30  C1y C    32.5712  -12.8367
            31  O2x O    33.7722  -14.9097
            32  O2a O    31.3775  -12.1418
            33  C1y C    33.7722  -12.1535
            34  C1y C    34.9650  -14.2264
            35  C1y C    31.3658  -10.7580
            36  C1y C    34.9650  -12.8367
            37  O1a O    33.7839  -10.7639
            38  C1b C    36.1644  -14.9213
            39  O2x O    32.5469  -10.0574
            40  C1y C    30.1604  -10.0761
            41  O1a O    36.1644  -12.1535
            42  O1a O    37.3584  -14.2393
            43  C1y C    32.5410   -8.6736
            44  C1y C    30.1545   -8.6922
            45  O1a O    28.9606  -10.7756
            46  C1y C    31.3356   -7.9976
            47  C1b C    33.7477   -7.9917
            48  O1a O    28.9490   -8.0317
            49  O1a O    31.3297   -6.6250
            50  C1x C    31.2920  -19.1889
            51  C2y C    32.5167  -17.1408
            52  C2a C    33.8589  -16.7921
            53  C1a C    26.9214  -21.9691
            54  C7a C    25.8204  -21.7904
            55  O6a O    24.4269  -21.7949
            56  O1a O    33.7606   -6.5983
BOND        62
            1     2   1 1 #Up
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Down
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1 #Up
            10    8  11 1 #Down
            11   13  14 1
            12   13  15 1
            13   13  16 1
            14   14  17 1
            15   14  18 1
            16   15  19 1
            17   16  20 1
            18   17  21 1
            19   17  22 1
            20   17  23 1 #Down
            21   18  24 1
            22   19  25 1 #Down
            23   21  26 1
            24   22  27 1
            25   28  25 1 #Up
            26   26  29 1
            27   28  30 1
            28   28  31 1
            29   30  32 1 #Down
            30   30  33 1
            31   31  34 1
            32   35  32 1 #Up
            33   33  36 1
            34   33  37 1 #Up
            35   34  38 1 #Up
            36   35  39 1
            37   35  40 1
            38   36  41 1 #Down
            39   38  42 1
            40   39  43 1
            41   40  44 1
            42   40  45 1 #Down
            43   43  46 1
            44   43  47 1 #Up
            45   44  48 1 #Up
            46   46  49 1 #Down
            47   19  24 1
            48   20  21 1
            49   27  29 1
            50   34  36 1
            51   44  46 1
            52   13  50 1 #Up
            53   19  51 1 #Up
            54   50  51 1
            55   51  52 2
            56   26  53 1 #Up
            57   26  54 1 #Down
            58   54   1 1
            59    9  12 1
            60   54  55 2
            61    6   8 1
            62   47  56 1

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