| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C28H39NO2
|
|---|
| Exact mass |
421.2981
|
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| Mol weight |
421.6148
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| Structure |
|
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| Reaction |
|
|---|
| Pathway |
| map00403 | Indole diterpene alkaloid biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Module |
| M00661 | Paspaline biosynthesis, geranylgeranyl-PP + indoleglycerol phosphate => paspaline |
|
|---|
| Enzyme |
1.14.13.-
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 31
1 C8x C 11.4510 -15.2273
2 C8x C 11.4510 -16.6367
3 C8x C 12.6490 -17.2709
4 C8y C 13.8471 -16.6367
5 C8y C 13.8471 -15.2273
6 C8x C 12.6490 -14.5225
7 N4x N 15.1860 -17.0595
8 C8y C 16.0317 -15.9320
9 C8y C 15.1860 -14.8044
10 C1z C 17.3002 -15.5091
11 C1y C 17.3002 -14.0997
12 C1x C 16.0317 -13.6769
13 C1z C 18.5687 -16.1434
14 C1y C 19.7667 -15.5091
15 C1x C 19.7667 -14.0997
16 C1x C 18.5687 -13.3950
17 C1x C 18.5687 -17.5528
18 C1x C 19.7667 -18.2575
19 C1y C 20.9647 -17.5528
20 C1z C 20.9647 -16.1434
21 C1y C 23.3607 -17.5528
22 C1b C 23.3607 -16.1434
23 C1b C 22.1627 -15.5091
24 C1a C 17.3706 -16.9186
25 C1a C 18.0049 -14.6635
26 C1a C 20.9647 -14.7340
27 C1z C 24.5813 -18.2575
28 C1a C 25.7848 -17.5625
29 C1a C 24.5814 -19.6668
30 O2x O 24.5813 -16.8481
31 O1a O 22.1853 -18.2575
BOND 36
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 9 12 1
15 10 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 11 16 1
20 13 17 1
21 17 18 1
22 18 19 1
23 19 20 1
24 14 20 1
25 21 22 1
26 22 23 1
27 20 23 1
28 10 24 1 #Down
29 13 25 1 #Up
30 20 26 1 #Up
31 21 27 1
32 27 28 1
33 27 29 1
34 27 30 1
35 19 31 1 #Up
36 21 30 1 #Down
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