KEGG   COMPOUND: C02943Help
Entry
C02943                      Compound                               

Name
3-Oxoglycyrrhetinate
Formula
C30H44O4
Exact mass
468.324
Mol weight
468.668
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
PubChem: 5862
ChEBI: 16404
ChEMBL: CHEMBL493512
LIPIDMAPS: LMPR0106150012
NIKKAJI: J227.340C
KCF data Show

ATOM        34
            1   C1y C    25.2885  -16.9612
            2   C1z C    26.4835  -17.6273
            3   C1z C    24.1194  -17.6470
            4   C5x C    25.2818  -15.5963
            5   C1z C    27.6590  -16.9482
            6   C1x C    26.4899  -19.0053
            7   C1a C    27.6982  -18.3392
            8   C1y C    24.1260  -19.0119
            9   C1x C    22.9243  -16.9743
            10  C1a C    23.9105  -16.1711
            11  C2x C    26.4638  -14.9105
            12  O5x O    24.0476  -14.8780
            13  C2y C    27.6524  -15.5899
            14  C1x C    28.8476  -17.6209
            15  C1a C    28.3568  -16.0302
            16  C1x C    25.3013  -19.6975
            17  C1z C    22.9438  -19.7106
            18  C1x C    21.7422  -17.6601
            19  C1y C    28.8215  -14.8910
            20  C1x C    29.9904  -17.0919
            21  C5x C    21.7488  -19.0250
            22  C1a C    22.2220  -21.1019
            23  C1a C    23.8538  -21.0764
            24  C1z C    30.0101  -15.5637
            25  C1x C    28.8718  -13.5197
            26  O5x O    20.5210  -19.7367
            27  C1x C    31.1985  -14.8649
            28  C1a C    31.2377  -16.2690
            29  C1z C    29.9904  -12.8142
            30  C1x C    31.1985  -13.4869
            31  C6a C    31.2116  -12.0959
            32  C1a C    28.9781  -11.8021
            33  O6a O    32.4460  -12.7947
            34  O6a O    31.2330  -10.7768
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 2
            12    5  13 1
            13    5  14 1
            14    5  15 1 #Down
            15    6  16 1
            16    8  17 1
            17    9  18 1
            18   13  19 1
            19   14  20 1
            20   17  21 1
            21   17  22 1
            22   17  23 1
            23   19  24 1
            24   19  25 1
            25   21  26 2
            26   24  27 1
            27   24  28 1 #Up
            28   25  29 1
            29   27  30 1
            30   29  31 1 #Up
            31   29  32 1 #Down
            32   31  33 1
            33   31  34 2
            34    8  16 1
            35   11  13 2
            36   18  21 1
            37   20  24 1
            38   29  30 1

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