KEGG   COMPOUND: C08808Help
Entry
C08808                      Compound                               

Name
Gratiogenin
Formula
C30H48O4
Exact mass
472.3553
Mol weight
472.6997
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08808  Gratiogenin
BRITE hierarchy
Other DBs
CAS: 7067-16-5
PubChem: 11001
ChEBI: 5540
3DMET: B02427
NIKKAJI: J16.182I
KCF data Show

ATOM        34
            1   C1z C    27.7795  -27.6499
            2   O2x O    29.0981  -27.2939
            3   C1x C    27.0269  -26.5062
            4   C1a C    26.4433  -27.2822
            5   C1y C    29.1622  -25.9286
            6   C1x C    27.8786  -25.4385
            7   C1d C    30.3301  -25.1641
            8   O1a O    31.5763  -25.7934
            9   C1a C    30.3221  -23.7703
            10  C1a C    31.5328  -24.4565
            11  C1y C    27.7751  -29.0179
            12  C1z C    26.5646  -31.0502
            13  C1y C    25.3742  -31.7328
            14  C1z C    26.5063  -29.6849
            15  C1x C    28.9335  -31.0793
            16  C1a C    26.5470  -32.4213
            17  C1z C    24.1898  -31.0386
            18  C1x C    25.3742  -33.1040
            19  C1x C    25.3976  -28.9905
            20  C1a C    26.5004  -28.3079
            21  C1x C    28.8751  -29.7083
            22  C1y C    22.9296  -31.7211
            23  C5x C    24.2015  -29.6616
            24  C1a C    24.8781  -32.4096
            25  C2x C    24.1781  -33.7925
            26  C2y C    22.9937  -33.0924
            27  C1x C    21.8093  -31.0326
            28  O5x O    23.0230  -28.9671
            29  C1z C    21.8093  -33.7866
            30  C1x C    20.6191  -31.7211
            31  C1y C    20.6191  -33.0924
            32  C1a C    21.1150  -34.9711
            33  C1a C    22.4861  -34.9711
            34  O1a O    19.4289  -33.7749
BOND        38
            1     5   6 1
            2     5   7 1 #Up
            3    11   1 1
            4     7   8 1
            5     1   2 1
            6     7   9 1
            7     1   3 1
            8     7  10 1
            9     1   4 1 #Up
            10    2   5 1
            11    3   6 1
            12   12  13 1
            13   12  14 1
            14   12  15 1
            15   12  16 1 #Down
            16   13  17 1
            17   13  18 1
            18   14  11 1
            19   14  19 1
            20   14  20 1 #Up
            21   15  21 1
            22   17  22 1
            23   17  23 1
            24   17  24 1 #Up
            25   18  25 1
            26   22  26 1
            27   22  27 1
            28   23  28 2
            29   26  29 1
            30   27  30 1
            31   29  31 1
            32   29  32 1
            33   29  33 1
            34   31  34 1 #Up
            35   11  21 1
            36   19  23 1
            37   25  26 2
            38   30  31 1

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