KEGG   COMPOUND: C04859Help
Entry
C04859                      Compound                               

Name
(20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside
Formula
C33H52O9
Exact mass
592.3611
Mol weight
592.7606
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Glycosides [BR:br08021]
 O-glycosides
  Saponins
   Steroid
    C04859  (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside
BRITE hierarchy
Other DBs
PubChem: 7414
ChEBI: 15575
LIPIDMAPS: LMST01090002
NIKKAJI: J264.622F
KCF data Show

ATOM        42
            1   O2a O    18.9700  -19.9873
            2   C1y C    17.7564  -20.6699
            3   O2x O    16.5428  -19.9756
            4   C1y C    17.7564  -22.0703
            5   C1y C    15.3290  -20.6758
            6   C1y C    16.5428  -22.7706
            7   O1a O    18.9643  -22.7706
            8   C1y C    15.3290  -22.0761
            9   C1b C    14.1154  -19.9756
            10  O1a O    16.5486  -24.1710
            11  O1a O    14.1211  -22.7763
            12  O1a O    12.9016  -20.6641
            13  C1a C    29.7221  -10.8856
            14  C1z C    30.4076  -12.0689
            15  C1b C    31.0846  -10.8856
            16  O1a O    32.2847  -10.1857
            17  O2x O    29.2239  -12.7529
            18  C1z C    29.2239  -14.1136
            19  C1x C    31.5843  -14.1136
            20  C1x C    31.5843  -12.7529
            21  C1y C    26.9591  -14.1193
            22  O2x O    29.1551  -15.4379
            23  C1y C    26.9534  -15.4321
            24  C1a C    26.0293  -13.1836
            25  C1y C    28.0979  -16.1007
            26  C1z C    25.8145  -16.0716
            27  C1x C    28.0629  -17.3376
            28  C1y C    25.7971  -17.3783
            29  C1x C    24.6874  -15.4030
            30  C1a C    25.8088  -14.7590
            31  C1y C    24.6640  -18.0294
            32  C1x C    23.5428  -16.0542
            33  C1y C    23.5369  -17.3666
            34  C1x C    24.6640  -19.3422
            35  C1z C    22.3923  -18.0120
            36  C2x C    23.5194  -19.9932
            37  C2y C    22.3865  -19.3305
            38  C1x C    21.2535  -17.3609
            39  C1a C    22.3806  -16.7051
            40  C1x C    21.2535  -19.9873
            41  C1x C    20.1087  -18.0120
            42  C1y C    20.1087  -19.3305
BOND        48
            1     6  10 1 #Up
            2     8  11 1 #Down
            3     9  12 1
            4     6   8 1
            5     2   1 1 #Up
            6     2   3 1
            7     2   4 1
            8     3   5 1
            9     4   6 1
            10    4   7 1 #Down
            11    5   8 1
            12    5   9 1 #Up
            13   14  13 1 #Up
            14   14  15 1 #Down
            15   15  16 1
            16   18  17 1 #Down
            17   19  20 1
            18   20  14 1
            19   18  21 1
            20   18  22 1
            21   21  23 1
            22   21  24 1 #Down
            23   22  25 1
            24   23  26 1
            25   25  27 1
            26   26  28 1
            27   26  29 1
            28   26  30 1 #Up
            29   28  31 1
            30   29  32 1
            31   31  33 1
            32   31  34 1
            33   33  35 1
            34   34  36 1
            35   35  37 1
            36   35  38 1
            37   35  39 1 #Up
            38   37  40 1
            39   38  41 1
            40   40  42 1
            41   42   1 1 #Up
            42   23  25 1
            43   27  28 1
            44   32  33 1
            45   36  37 2
            46   41  42 1
            47   14  17 1
            48   18  19 1 #Up

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