| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C19H21NO3
|
|---|
| Exact mass |
311.1521
|
|---|
| Mol weight |
311.3749
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00944 | Morphine biosynthesis, (S)-reticuline => morphine |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C06173 Thebaine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C1z C 28.2836 -17.6426
2 C8y C 28.2780 -16.3243
3 C2y C 29.4201 -18.3073
4 C1y C 27.0658 -18.2903
5 C1x C 29.4257 -16.9663
6 C8y C 27.1301 -15.6652
7 C8y C 29.4257 -15.6652
8 C1y C 30.5680 -17.6539
9 C2x C 29.4143 -19.6256
10 O2x O 25.8345 -16.9890
11 C2y C 27.1245 -19.6086
12 C1x C 31.7043 -16.9190
13 C8y C 27.1301 -14.3355
14 C1x C 30.5736 -16.3299
15 C8x C 29.4257 -14.3355
16 N1y N 31.7157 -18.3187
17 C2x C 28.2608 -20.2791
18 O2a O 25.9425 -20.2734
19 C8x C 28.2836 -13.6764
20 O2a O 25.9879 -13.6764
21 C1a C 32.9943 -17.9721
22 C1a C 24.7720 -19.5859
23 C1a C 24.8344 -14.3355
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 1
17 11 18 1
18 13 19 2
19 13 20 1
20 16 21 1
21 18 22 1
22 20 23 1
23 6 10 1
24 8 14 1
25 11 17 2
26 12 16 1
27 15 19 1
|
|---|
