Entry |
|
Name |
Axillarin;
Quercetagetin 3,6-dimethyl ether
|
Formula |
C17H14O8
|
Exact mass |
346.0689
|
Mol weight |
346.2883
|
Structure |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10021 Axillarin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Flavonols
C10021 Axillarin
|
Other DBs |
|
KCF data |
ATOM 25
1 C8y C 30.0487 -17.3015
2 C8y C 31.2634 -16.6064
3 C8y C 30.0427 -18.7031
4 O2x O 28.8338 -16.5889
5 C8x C 31.2634 -15.2106
6 C8x C 32.4667 -17.3132
7 C8y C 28.8221 -19.3982
8 O2a O 31.2517 -19.4099
9 C8y C 27.6131 -17.2898
10 C8y C 32.4783 -14.5214
11 C8x C 33.6756 -16.6240
12 C8y C 27.6073 -18.6914
13 O5x O 28.8163 -20.7999
14 C1a C 32.4607 -18.7147
15 C8x C 26.4041 -16.5830
16 C8y C 33.6873 -15.2280
17 O1a O 32.4841 -13.1254
18 C8y C 26.4041 -19.3922
19 C8y C 25.1836 -17.2898
20 O1a O 34.8962 -14.5331
21 C8y C 25.1836 -18.6914
22 O1a O 26.4041 -20.7882
23 O1a O 23.9687 -16.5889
24 O2a O 23.9746 -19.3922
25 C1a C 22.7597 -18.6973
BOND 27
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 6 11 1
11 7 12 1
12 7 13 2
13 8 14 1
14 9 15 1
15 10 16 1
16 10 17 1
17 12 18 1
18 15 19 2
19 16 20 1
20 18 21 2
21 18 22 1
22 19 23 1
23 21 24 1
24 24 25 1
25 9 12 2
26 11 16 2
27 19 21 1
|