KEGG   COMPOUND: C16989
Entry
C16989                      Compound                               

Name
Liquiritin;
Liquiritigenin-4'-beta-glucoside
Formula
C21H22O9
Exact mass
418.1264
Mol weight
418.394
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C16989  Liquiritin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavanones
    C16989  Liquiritin
Other DBs
CAS: 551-15-5
PubChem: 96023475
ChEBI: 80845
ChEMBL: CHEMBL511995
KNApSAcK: C00008193
NIKKAJI: J22.605J
KCF data

ATOM        30
            1   C1y C    31.9200  -19.6000
            2   C1y C    31.9200  -21.0000
            3   C1y C    33.1100  -21.7000
            4   C1y C    34.3000  -21.0000
            5   C1y C    34.3000  -19.6000
            6   O2x O    33.1100  -18.9000
            7   C1b C    35.4900  -18.9000
            8   O1a O    35.4900  -21.7000
            9   O1a O    33.1100  -23.1000
            10  C8y C    23.3800  -21.3500
            11  C8y C    23.3800  -22.7500
            12  C8x C    22.1900  -23.4500
            13  C8x C    21.0000  -22.7500
            14  C8y C    21.0000  -21.3500
            15  C8x C    22.1900  -20.6500
            16  O2x O    24.5700  -20.6500
            17  C1y C    25.7600  -21.3500
            18  C1x C    25.7600  -22.7500
            19  C5x C    24.5700  -23.4500
            20  C8y C    26.9500  -20.6500
            21  C8x C    26.9500  -19.2500
            22  C8x C    28.2100  -18.5500
            23  C8y C    29.4000  -19.2500
            24  C8x C    29.4000  -20.6500
            25  C8x C    28.2100  -21.3500
            26  O5x O    24.5700  -24.8500
            27  O1a O    19.7400  -20.6500
            28  O2a O    30.5900  -18.5500
            29  O1a O    36.7081  -19.5901
            30  O1a O    30.7047  -21.6951
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1 #Down
            8     4   8 1 #Up
            9     3   9 1 #Down
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   10  15 1
            16   10  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   11  19 1
            21   17  20 1 #Down
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   20  25 1
            28   19  26 2
            29   14  27 1
            30   23  28 1
            31    1  28 1 #Down
            32    7  29 1
            33    2  30 1 #Up

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