KEGG   COMPOUND: C09614Help
Entry
C09614                      Compound                               

Name
Butin;
(-)-Butin;
7,3',4'-Trihydroxyflavanone
Formula
C15H12O5
Exact mass
272.0685
Mol weight
272.2528
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00941  Flavonoid biosynthesis
Enzyme
1.14.11.9       1.14.14.82      5.5.1.6
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C09614  Butin
BRITE hierarchy
Other DBs
CAS: 492-14-8
PubChem: 11805
ChEBI: 27725
ChEMBL: CHEMBL451168
KNApSAcK: C00000945
3DMET: B03130
NIKKAJI: J19.368B
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    22.1290  -15.5902
            2   C8y C    22.1233  -16.9935
            3   O2x O    23.3460  -14.8973
            4   C8x C    20.9237  -14.8914
            5   C5x C    23.3343  -17.6980
            6   C8x C    20.9237  -17.6921
            7   C1y C    24.5513  -15.6018
            8   C8y C    19.7067  -15.5902
            9   C1x C    24.5456  -16.9993
            10  O5x O    23.3286  -19.1012
            11  C8x C    19.7067  -16.9935
            12  O1a O    18.4900  -14.8914
            13  C8y C    25.7683  -14.9090
            14  C8x C    25.7683  -13.5115
            15  C8x C    26.9736  -15.6135
            16  C8y C    26.9852  -12.8128
            17  C8x C    28.1906  -14.9206
            18  C8y C    28.1963  -13.5232
            19  O1a O    26.9910  -11.4095
            20  O1a O    29.4133  -12.8244
BOND        22
            1     5   9 1
            2     5  10 2
            3     6  11 2
            4     8  12 1
            5     7   9 1
            6     8  11 1
            7     7  13 1 #Down
            8     1   2 2
            9     1   3 1
            10    1   4 1
            11    2   5 1
            12    2   6 1
            13    3   7 1
            14    4   8 2
            15   13  14 1
            16   13  15 2
            17   14  16 2
            18   15  17 1
            19   16  18 1
            20   16  19 1
            21   18  20 1
            22   17  18 2

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