KEGG   COMPOUND: C08919
Entry
C08919                      Compound                               
Name
Yamogenin 3-O-neohesperidoside
Formula
C39H62O12
Exact mass
722.4241
Mol weight
722.9024
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08919  Yamogenin 3-O-neohesperidoside
Other DBs
CAS: 110996-52-6
PubChem: 11111
ChEBI: 10087
KNApSAcK: C00003598
3DMET: B02525
NIKKAJI: J2.767.366J
LinkDB
KCF data

ATOM        51
            1   C1y C    23.1895  -21.8368
            2   C1y C    24.2941  -21.1304
            3   O2x O    23.1448  -23.2063
            4   C1y C    25.5700  -21.8040
            5   O1a O    24.2783  -19.7634
            6   C1y C    24.3384  -23.8723
            7   C1y C    25.5159  -23.1712
            8   O1a O    26.6697  -21.1008
            9   C1a C    24.3571  -25.2309
            10  O1a O    26.7074  -23.8315
            11  C1y C    20.7520  -19.0817
            12  C1y C    20.7349  -20.4482
            13  O2x O    19.5735  -18.3933
            14  O2a O    21.9153  -21.1448
            15  C1y C    19.5483  -21.1248
            16  C1y C    18.3089  -19.0583
            17  C1y C    18.3728  -20.4315
            18  O1a O    19.5307  -22.4925
            19  C1b C    17.1955  -18.3669
            20  O1a O    17.1747  -21.1025
            21  O1a O    17.2175  -17.0034
            22  C1z C    29.0789  -14.3383
            23  C1y C    30.2616  -13.6640
            24  C1y C    29.0615  -15.6842
            25  C1x C    27.9079  -13.6350
            26  C1a C    29.0732  -12.9677
            27  C1y C    31.4445  -14.3616
            28  C1y C    30.2616  -12.2992
            29  C1y C    27.8774  -16.3643
            30  C1x C    31.4095  -15.6563
            31  C1x C    26.7180  -14.3021
            32  O2x O    32.6215  -13.6700
            33  C1z C    32.6215  -12.2992
            34  C1a C    29.3075  -11.3334
            35  C1y C    26.7064  -15.6668
            36  C1x C    27.8774  -17.7292
            37  C1x C    33.8054  -12.9851
            38  O2x O    32.6215  -10.9288
            39  C1z C    25.4477  -16.3527
            40  C2x C    26.6947  -18.4022
            41  C1x C    34.9824  -12.2992
            42  C1x C    33.8112  -10.2616
            43  C2y C    25.5120  -17.7175
            44  C1x C    24.3407  -15.6610
            45  C1a C    25.5061  -14.9822
            46  C1y C    34.9881  -10.9345
            47  C1x C    24.3407  -18.3963
            48  C1x C    23.1639  -16.3527
            49  C1a C    36.1650  -10.2616
            50  C1y C    23.1639  -17.7175
            51  O2a O    21.9682  -18.3963
BOND        58
            1    12  14 1 #Down
            2    12  15 1
            3    13  16 1
            4    15  17 1
            5    15  18 1 #Up
            6    16  19 1 #Up
            7    17  20 1 #Down
            8    19  21 1
            9    16  17 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    2   5 1 #Down
            14    3   6 1
            15    4   7 1
            16    4   8 1 #Down
            17    6   9 1 #Down
            18    7  10 1 #Up
            19    6   7 1
            20   11  12 1
            21   11  13 1
            22   22  23 1
            23   22  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   23  27 1
            27   23  28 1
            28   24  29 1
            29   24  30 1
            30   25  31 1
            31   27  32 1
            32   28  33 1
            33   28  34 1 #Down
            34   29  35 1
            35   29  36 1
            36   33  37 1
            37   33  38 1 #Down
            38   35  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   39  44 1
            44   39  45 1 #Up
            45   41  46 1
            46   43  47 1
            47   44  48 1
            48   46  49 1 #Up
            49   47  50 1
            50   50  51 1 #Up
            51   27  30 1
            52   31  35 1
            53   32  33 1
            54   40  43 2
            55   42  46 1
            56   48  50 1
            57   11  51 1 #Up
            58    1  14 1 #Up

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