KEGG   COMPOUND: C16968
Entry
C16968                      Compound                               

Name
Glycyrol;
Neoglycyrol
Formula
C21H18O6
Exact mass
366.1103
Mol weight
366.364
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1209 Coumestan flavonoids
    C16968  Glycyrol
Other DBs
CAS: 23013-84-5
PubChem: 96023454
ChEBI: 80832
ChEMBL: CHEMBL132695
KNApSAcK: C00009777
NIKKAJI: J330.866I
KCF data

ATOM        27
            1   C8y C    27.9543  -24.3094
            2   C8y C    27.9543  -22.9147
            3   C8y C    29.1621  -25.0066
            4   O7x O    30.3698  -24.3094
            5   C8y C    30.3698  -22.9147
            6   C8y C    29.1621  -22.2175
            7   C8x C    31.5774  -22.2175
            8   C8y C    31.5775  -20.8229
            9   C8y C    30.3699  -20.1255
            10  C8y C    29.1621  -20.8229
            11  O6a O    29.1621  -26.4010
            12  O2a O    27.9544  -20.1255
            13  C1b C    30.3699  -18.7311
            14  C2b C    31.5775  -18.0338
            15  C2c C    31.5775  -16.6392
            16  C1a C    32.7725  -15.9493
            17  C1a C    30.3572  -15.9345
            18  O1a O    32.7726  -20.1330
            19  C1a C    26.6921  -20.8545
            20  O2x O    26.6279  -22.4837
            21  C8y C    25.8082  -23.6121
            22  C8y C    26.6279  -24.7404
            23  C8x C    24.3858  -23.6186
            24  C8y C    23.8041  -24.9251
            25  C8x C    24.5523  -26.0534
            26  C8x C    25.9747  -26.0469
            27  O1a O    22.4117  -24.9279
BOND        30
            1     1   2 2
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     5   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    6  10 2
            12    3  11 2
            13   10  12 1
            14    9  13 1
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   15  17 1
            19    8  18 1
            20   12  19 1
            21    2  20 1
            22   20  21 1
            23   21  22 1
            24    1  22 1
            25   21  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   22  26 2
            30   24  27 1

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