KEGG   COMPOUND: C08578Help
Entry
C08578                      Compound                               

Name
Butein
Formula
C15H12O5
Exact mass
272.0685
Mol weight
272.2528
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00941  Flavonoid biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1212 Chalcones and dihydrochalcones
    C08578  Butein
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Chalcones
    C08578  Butein
BRITE hierarchy
Other DBs
CAS: 487-52-5
PubChem: 10771
ChEBI: 3237
ChEMBL: CHEMBL128000
KNApSAcK: C00006941
PDB-CCD: BUN[PDBj]
3DMET: B02236
NIKKAJI: J11.660B
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    26.4867  -17.7137
            2   C8y C    25.2754  -18.4066
            3   C5a C    27.6979  -18.4066
            4   C8x C    26.4867  -16.3102
            5   C8x C    24.0583  -17.7137
            6   O1a O    25.2754  -19.8101
            7   O5a O    27.6979  -19.8101
            8   C8x C    25.2754  -15.6114
            9   C8y C    24.0583  -16.3102
            10  O1a O    22.8471  -15.6056
            11  C2b C    28.9239  -17.6953
            12  C2b C    30.1335  -18.3904
            13  C8y C    31.3109  -17.7074
            14  C8x C    32.5101  -18.3966
            15  C8y C    33.7211  -17.6943
            16  C8y C    33.7184  -16.2943
            17  C8x C    32.5193  -15.6051
            18  C8x C    31.3082  -16.3074
            19  O1a O    34.9385  -15.5864
            20  O1a O    34.9559  -18.4039
BOND        21
            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 2
            8     5   9 2
            9     9  10 1
            10    8   9 1
            11    3  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16  19 1
            21   15  20 1

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