| Entry |
|
|---|
| Name |
Precondylocarpine acetate
|
|---|
| Formula |
C23H27N2O4
|
|---|
| Exact mass |
395.1971
|
|---|
| Mol weight |
395.47
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00965 | Vinblastine biosynthesis, geissoschizine => vinblastine |
|
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| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 16.6273 -15.2822
2 C8y C 16.6692 -16.6095
3 C8x C 14.3279 -15.3405
4 C8x C 14.3739 -16.6678
5 C8x C 15.5398 -17.2914
6 C8x C 15.4618 -14.6442
7 C1z C 19.9837 -15.7772
8 C1y C 20.5121 -14.5649
9 C1x C 19.7290 -13.4980
10 C1x C 18.4178 -13.6470
11 N2y N 17.4254 -12.7622 #+
12 C1x C 16.2766 -13.4290
13 C1x C 16.5619 -14.7303
14 C2x C 18.9324 -11.7136
15 C2y C 21.3186 -13.5163
16 C7a C 20.7752 -16.8369
17 O7a O 22.0814 -16.6857
18 O6a O 20.3826 -18.0503
19 C1a C 22.8749 -17.7506
20 C8y C 18.6721 -15.9294
21 C8y C 17.8813 -14.8605
22 C2b C 22.5279 -14.2099
23 C1a C 22.5279 -15.6012
24 N4x N 17.9942 -16.9039
25 C1b C 19.3142 -16.9149
26 O7a O 19.3072 -18.2286
27 C7a C 19.3072 -19.6286
28 C1a C 18.1167 -20.3155
29 O6a O 20.5166 -20.3270
BOND 32
1 12 13 1
2 21 13 1
3 11 14 2
4 1 2 2
5 8 15 1
6 14 15 1
7 3 4 1
8 7 16 1
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 1
27 7 25 1 #Up
28 11 12 1
29 25 26 1
30 26 27 1
31 27 28 1
32 27 29 2
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