KEGG   COMPOUND: C09471
Entry
C09471                      Compound                               

Name
Asebogenin;
Phloretin 4'-methyl ether
Formula
C16H16O5
Exact mass
288.0998
Mol weight
288.2952
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1212 Chalcones and dihydrochalcones
    C09471  Asebogenin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Dihydrochalcones
    C09471  Asebogenin
Other DBs
CAS: 520-42-3
PubChem: 11662
ChEBI: 2871
ChEMBL: CHEMBL253257
KNApSAcK: C00000940
3DMET: B02998
NIKKAJI: J367.549A
KCF data

ATOM        21
            1   C8y C    27.0917  -17.6848
            2   C8y C    25.8799  -18.3781
            3   C8y C    27.0917  -16.2810
            4   C5a C    28.3092  -18.3781
            5   C8x C    24.6683  -17.6848
            6   O1a O    25.8859  -19.7819
            7   C8x C    25.8799  -15.5760
            8   O1a O    28.3092  -15.5819
            9   C1b C    29.5209  -17.6790
            10  O5a O    28.3092  -19.7819
            11  C8y C    24.6683  -16.2810
            12  O2a O    23.4567  -15.5760
            13  C1a C    22.2450  -16.2810
            14  C1b C    30.7610  -18.3950
            15  C8y C    31.9437  -17.7121
            16  C8x C    33.1373  -18.4014
            17  C8x C    34.3498  -17.7015
            18  C8y C    34.3499  -16.3015
            19  C8x C    33.1563  -15.6122
            20  C8x C    31.9438  -16.3121
            21  O1a O    35.5736  -15.5950
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11   11  12 1
            12   12  13 1
            13    7  11 2
            14    9  14 1
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   18  21 1

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