KEGG   COMPOUND: C08648Help
Entry
C08648                      Compound                               

Name
Isobavachalcone
Formula
C20H20O4
Exact mass
324.1362
Mol weight
324.3704
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1212 Chalcones and dihydrochalcones
    C08648  Isobavachalcone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Chalcones
    C08648  Isobavachalcone
BRITE hierarchy
Other DBs
CAS: 20784-50-3
PubChem: 10841
ChEBI: 28106
ChEMBL: CHEMBL253467
KNApSAcK: C00002381 C00036579
3DMET: B02299
NIKKAJI: J19.902H
KCF data Show

ATOM        24
            1   C8y C    28.2684  -17.7204
            2   C8y C    27.0625  -18.4138
            3   C8x C    28.2684  -16.3164
            4   C5a C    29.4860  -18.4138
            5   C8y C    25.8449  -17.7204
            6   O1a O    27.0625  -19.8178
            7   C8x C    27.0625  -15.6115
            8   C2b C    30.6979  -17.7147
            9   O5a O    29.4860  -19.8178
            10  C8y C    25.8449  -16.3164
            11  C1b C    24.6273  -18.4138
            12  O1a O    24.6273  -15.6115
            13  C2b C    23.4213  -17.7204
            14  C2c C    22.2094  -18.4195
            15  C1a C    20.9918  -17.7204
            16  C1a C    22.2094  -19.8178
            17  C2b C    31.9318  -18.4282
            18  C8y C    33.1435  -17.7295
            19  C8x C    34.3219  -18.4109
            20  C8x C    35.5348  -17.7116
            21  C8y C    35.5357  -16.3116
            22  C8x C    34.3572  -15.6303
            23  C8x C    33.1444  -16.3295
            24  O1a O    36.7674  -15.6013
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11   10  12 1
            12   11  13 1
            13   13  14 2
            14   14  15 1
            15   14  16 1
            16    7  10 1
            17    8  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   21  24 1

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