Entry |
|
Name |
|
Formula |
C21H22N2O3
|
Exact mass |
350.1630
|
Mol weight |
350.41
|
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
C11680 Cathenamine
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 26
1 C8x C 20.8270 -18.1488
2 C8x C 21.4290 -19.4024
3 C8x C 22.8193 -19.5803
4 C8x C 21.6118 -16.9962
5 C8y C 23.0083 -17.1011
6 C8y C 23.6105 -18.3548
7 C1x C 25.1465 -13.9978
8 C1x C 23.9588 -14.7267
9 N1y N 26.3767 -14.6495
10 C1y C 26.4128 -16.0460
11 C1x C 27.6392 -16.7099
12 C2x C 27.5671 -13.9168
13 C2y C 28.7937 -14.5808
14 C1y C 28.7569 -15.9712
15 C2y C 30.0466 -16.6345
16 C2x C 31.2363 -15.9136
17 O2x O 31.1999 -14.5169
18 C1y C 29.9802 -13.8537
19 C1a C 29.9897 -12.3892
20 C7a C 30.0014 -18.0977
21 C8y C 25.2310 -16.7878
22 C8y C 23.9346 -16.1393
23 N4x N 24.9944 -18.1546
24 O7a O 31.2275 -18.8846
25 C1a C 31.2070 -20.2792
26 O6a O 28.8010 -18.7074
BOND 30
1 1 2 1
2 21 10 1
3 9 7 1
4 7 8 1
5 13 14 1
6 14 15 1
7 15 16 2
8 16 17 1
9 17 18 1
10 18 13 1
11 8 22 1
12 18 19 1 #Down
13 2 3 2
14 15 20 1
15 3 6 1
16 5 4 1
17 4 1 2
18 21 22 2
19 22 5 1
20 6 23 1
21 23 21 1
22 9 10 1
23 20 24 1
24 10 11 1
25 24 25 1
26 11 14 1
27 20 26 2
28 13 12 2
29 12 9 1
30 5 6 2
|