Entry |
|
Name |
|
Formula |
C21H22N2O2
|
Exact mass |
334.1681
|
Mol weight |
334.4116
|
Structure |
|
Reaction |
|
Pathway |
map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tryptophan and anthranilic acid
Indole alkaloids
C06522 Strychnine
Pesticides [BR:br08007]
Pesticides
Rodenticides
Others
C06522 Strychnine
Natural toxins [BR:br08009]
Phytotoxins
Alkaloids
Indole alkaloids
C06522 Strychnine
Risk category of Japanese OTC drugs [BR:br08312]
First-class OTC drugs
Inorganic and organic chemicals
Strychnine
C06522 Strychnine
|
Other DBs |
|
KCF data |
ATOM 25
1 C1z C 24.2072 -15.7467
2 C1y C 24.9709 -16.8127
3 C1y C 24.8210 -14.5489
4 C8y C 22.9489 -16.1477
5 C1x C 22.8115 -15.0983
6 C1y C 26.2841 -16.8317
7 N1y N 24.1962 -17.8731
8 N1y N 23.9873 -13.3374
9 C1x C 26.1288 -14.5625
10 C8y C 22.9433 -17.4665
11 C8x C 21.8169 -15.4885
12 C1x C 22.6686 -13.4774
13 C1y C 26.8225 -15.4939
14 C1y C 26.8885 -17.8621
15 C5x C 24.7236 -19.0709
16 C1x C 27.4325 -14.0159
17 C8x C 21.8169 -18.1204
18 C8x C 20.6741 -16.1477
19 C2y C 28.0973 -15.1643
20 C1x C 26.0258 -19.2082
21 O2x O 28.1742 -18.1148
22 O5x O 23.9489 -20.1313
23 C8x C 20.6741 -17.4610
24 C2x C 29.1469 -15.9500
25 C1x C 29.1797 -17.2631
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1 #Up
8 3 9 1
9 4 10 1
10 4 11 2
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 1
16 10 17 2
17 11 18 1
18 13 19 1
19 14 20 1
20 14 21 1
21 15 22 2
22 17 23 1
23 19 24 2
24 21 25 1
25 7 10 1
26 8 12 1
27 9 13 1
28 15 20 1
29 16 19 1
30 18 23 2
31 24 25 1
|