KEGG   COMPOUND: C10524
Entry
C10524                      Compound                               

Name
Puerarin
Formula
C21H20O9
Exact mass
416.1107
Mol weight
416.3781
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C10524  Puerarin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C10524  Puerarin
Glycosides [BR:br08021]
 C-glycosides
  C10524  Puerarin
Major components of natural products [BR:br08323]
 Crude drugs
  Pueraria root
   C10524  Puerarin
Other DBs
CAS: 3681-99-0
PubChem: 12707
ChEBI: 8633
ChEMBL: CHEMBL1334785 CHEMBL486386
KNApSAcK: C00006094
3DMET: B03925
NIKKAJI: J16.365A
KCF data

ATOM        30
            1   C1y C    22.3842  -16.2658
            2   C1y C    21.1833  -15.5465
            3   C1y C    21.2103  -14.1457
            4   C1y C    22.4378  -13.4655
            5   C1y C    23.6382  -14.1926
            6   O2x O    23.6810  -15.5934
            7   O1a O    19.9633  -16.2204
            8   O1a O    20.0170  -13.4187
            9   O1a O    22.4650  -12.0649
            10  C1b C    24.8658  -13.5125
            11  O1a O    24.8903  -12.1188
            12  C8y C    22.3572  -17.6622
            13  C8y C    23.5691  -18.3613
            14  C8y C    23.5631  -19.7655
            15  O2x O    24.7867  -17.6681
            16  C8y C    21.1397  -18.3613
            17  C8y C    24.7750  -20.4646
            18  C8x C    22.3572  -20.4646
            19  C8x C    25.9984  -18.3730
            20  C8x C    21.1397  -19.7655
            21  O1a O    19.9337  -17.6565
            22  C8y C    25.9927  -19.7772
            23  O5x O    24.7691  -21.8686
            24  C8y C    27.1986  -20.4763
            25  C8x C    27.2570  -21.8743
            26  C8x C    28.4104  -19.7829
            27  C8x C    28.3987  -22.5851
            28  C8x C    29.6163  -20.4879
            29  C8y C    29.6106  -21.8860
            30  O1a O    30.8223  -22.5968
BOND        33
            1     4   9 1 #Down
            2     5  10 1 #Up
            3    10  11 1
            4     1  12 1 #Up
            5     1   2 1
            6     2   3 1
            7     3   4 1
            8     4   5 1
            9     5   6 1
            10    6   1 1
            11    2   7 1 #Down
            12    3   8 1 #Up
            13   13  12 1
            14   13  14 2
            15   13  15 1
            16   12  16 2
            17   14  17 1
            18   14  18 1
            19   15  19 1
            20   16  20 1
            21   16  21 1
            22   17  22 1
            23   17  23 2
            24   22  24 1
            25   24  25 2
            26   24  26 1
            27   25  27 1
            28   26  28 2
            29   27  29 2
            30   29  30 1
            31   18  20 2
            32   19  22 2
            33   28  29 1

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