KEGG   COMPOUND: C08768
Entry
C08768                      Compound                               
Name
Ichangin
Formula
C26H32O9
Exact mass
488.2046
Mol weight
488.5269
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08768  Ichangin
Other DBs
CAS: 10171-61-6
PubChem: 10961
ChEBI: 5860
KNApSAcK: C00003716
3DMET: B02393
NIKKAJI: J15.303F
LinkDB
KCF data

ATOM        35
            1   C1z C    26.6985  -16.3856
            2   C1z C    25.4798  -17.0970
            3   C1y C    27.9288  -17.0912
            4   C1z C    26.6985  -14.9688
            5   O2x O    26.6926  -17.7616
            6   C1y C    24.2612  -16.4032
            7   C5x C    25.4798  -18.4963
            8   C1a C    26.1039  -15.7092
            9   C7x C    29.1531  -16.3915
            10  C1y C    27.9171  -14.2632
            11  C1x C    25.4624  -14.2865
            12  C1a C    26.6926  -13.5811
            13  C1z C    23.0602  -17.0970
            14  C1x C    24.2438  -14.9979
            15  C1x C    24.2612  -19.2077
            16  O5x O    26.6751  -19.1901
            17  O7x O    29.1474  -14.9629
            18  O6a O    30.3544  -17.0853
            19  C8y C    27.9112  -12.8697
            20  C1y C    23.0602  -18.4963
            21  C1y C    21.7249  -16.6771
            22  C1x C    24.0221  -16.1348
            23  C8x C    26.7801  -12.0593
            24  C8x C    29.0307  -12.0476
            25  C1d C    21.8473  -19.1960
            26  C1x C    21.4158  -15.3070
            27  O1a O    20.7046  -17.6276
            28  O7x O    23.7073  -14.6947
            29  C8x C    27.2115  -10.7416
            30  O2x O    28.5875  -10.7356
            31  C1a C    21.8415  -20.6012
            32  C1a C    20.8387  -20.1815
            33  O1a O    20.4829  -18.8171
            34  C7x C    22.4303  -14.3624
            35  O6a O    22.1214  -13.0097
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Down
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 2
            16    9  17 1
            17    9  18 2
            18   10  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   13  22 1 #Up
            22   19  23 1
            23   19  24 2
            24   20  25 1 #Up
            25   21  26 1
            26   21  27 1 #Up
            27   22  28 1
            28   23  29 2
            29   24  30 1
            30   25  31 1
            31   25  32 1
            32   25  33 1
            33   26  34 1
            34   34  35 2
            35    3   5 1 #Up
            36   10  17 1
            37   11  14 1
            38   15  20 1
            39   28  34 1
            40   29  30 1

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