| Entry |
|
|---|
| Name |
3,17-Didehydrostemmadenine
|
|---|
| Formula |
C21H23N2O3
|
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| Exact mass |
351.1709
|
|---|
| Mol weight |
351.42
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00965 | Vinblastine biosynthesis, geissoschizine => vinblastine |
| M00980 | Strychnine biosynthesis, geissoschizine => strychnine |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C8y C 16.6600 -16.3100
2 C8y C 16.6600 -17.6400
3 C8x C 14.3500 -16.3800
4 C8x C 14.3500 -17.7100
5 C8x C 15.5400 -18.3400
6 C8x C 15.4700 -15.6800
7 C1z C 19.9500 -16.8000
8 C1y C 20.5100 -15.6100
9 C1x C 19.7400 -14.5600
10 C2x C 18.4100 -14.7000
11 N2y N 17.4300 -13.7900 #+
12 C1x C 16.3100 -14.4900
13 C1x C 16.5900 -15.7500
14 C1x C 18.2000 -12.7400
15 C2y C 21.3500 -14.5600
16 C7a C 20.7900 -17.9200
17 O7a O 22.0500 -17.7100
18 O6a O 20.3700 -19.1100
19 C1a C 22.8900 -18.8300
20 C8y C 18.6900 -17.0100
21 C8y C 17.8500 -15.8900
22 C2b C 22.5400 -15.2600
23 C1a C 22.5400 -16.6600
24 N4x N 17.9900 -17.9200
25 C4a C 19.3200 -17.9900
26 O4a O 19.3200 -19.2500
BOND 29
1 12 13 1
2 21 13 1
3 11 14 1
4 1 2 2
5 8 15 1
6 14 15 1
7 3 4 1
8 7 16 1 #Down
9 20 7 1
10 16 17 1
11 7 8 1
12 16 18 2
13 8 9 1
14 17 19 1
15 9 10 1
16 4 5 2
17 5 2 1
18 20 21 2
19 21 1 1
20 2 24 1
21 24 20 1
22 1 6 1
23 15 22 2
24 6 3 2
25 22 23 1
26 10 11 2
27 7 25 1
28 11 12 1
29 25 26 2
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