Entry |
|
Name |
|
Formula |
C21H24N2O3
|
Exact mass |
352.1787
|
Mol weight |
352.43
|
Structure |
|
Remark |
|
Reaction |
|
Pathway |
map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
1.14.14.-
|
Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tryptophan and anthranilic acid
Indole alkaloids
C09024 Ajmalicine
|
Other DBs |
|
KCF data |
ATOM 26
1 C8x C 20.8184 -17.9218
2 C8x C 21.3748 -19.1964
3 C8x C 22.7604 -19.3544
4 C8x C 21.6443 -16.7983
5 C8y C 23.0362 -16.9534
6 C8y C 23.5927 -18.2281
7 C1x C 25.2850 -13.9292
8 C1x C 24.0717 -14.6148
9 N1y N 26.4909 -14.6249
10 C1y C 26.4767 -16.0218
11 C1x C 27.6783 -16.7295
12 C1x C 27.7070 -13.9356
13 C1y C 28.9089 -14.6435
14 C1y C 28.8919 -16.0342
15 C2y C 30.0869 -16.7410
16 C2x C 31.3019 -16.0636
17 O2x O 31.3159 -14.6664
18 C1y C 30.1209 -13.9596
19 C1a C 30.1132 -12.4938
20 C7a C 30.1290 -18.2042
21 C8y C 25.2688 -16.7205
22 C8y C 24.0666 -16.0282
23 N4x N 24.9830 -18.0780
24 O7a O 31.1860 -19.0324
25 O6a O 28.7673 -18.7677
26 C1a C 32.5111 -18.3587
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 11 14 1
26 20 25 2
27 13 12 1
28 12 9 1
29 5 6 2
30 24 26 1
|