Entry |
|
Name |
Butin;
(-)-Butin;
7,3',4'-Trihydroxyflavanone
|
Formula |
C15H12O5
|
Exact mass |
272.0685
|
Mol weight |
272.2528
|
Structure |
|
Reaction |
|
Pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1214 Flavanones
C09614 Butin
|
Other DBs |
|
KCF data |
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
|