| | COMPOUND: C20561 | |
Entry |
|
Name |
|
Formula |
C37H49NO4
|
Exact mass |
571.3662
|
Mol weight |
571.7893
|
Structure |
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Reaction |
|
Pathway |
map00403 | Indole diterpene alkaloid biosynthesis |
map01110 | Biosynthesis of secondary metabolites |
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Other DBs |
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KCF data |
ATOM 42
1 C8y C 13.2780 -15.4906
2 C8y C 13.2780 -16.8940
3 C8x C 14.4709 -17.5256
4 C8y C 15.6639 -16.8940
5 C8y C 15.6639 -15.4906
6 C8x C 14.4709 -14.7888
7 N4x N 16.9972 -17.3151
8 C8y C 17.8392 -16.1923
9 C8y C 16.9972 -15.0695
10 C1z C 19.1024 -15.7713
11 C1y C 19.1024 -14.3678
12 C1x C 17.8392 -13.9467
13 C1z C 20.3655 -16.4028
14 C1z C 21.5584 -15.7713
15 C1x C 21.5584 -14.3678
16 C1x C 20.3655 -13.6661
17 C1x C 20.3655 -17.8063
18 C1x C 21.5584 -18.5080
19 C1y C 22.7514 -17.8063
20 C2y C 22.7514 -16.4028
21 O2x O 23.9443 -18.5080
22 C1y C 25.1373 -17.8063
23 C5x C 25.1373 -16.4028
24 C2x C 23.9443 -15.7713
25 C1a C 19.1725 -17.1747
26 O1a O 22.7514 -15.0695
27 C1d C 26.4004 -18.5080
28 C1a C 19.8041 -14.9292
29 O5x O 26.4004 -15.7011
30 O1a O 27.5933 -17.8063
31 C1a C 26.4004 -20.1220
32 C1a C 27.5933 -19.2098
33 C1b C 12.0625 -14.7888
34 C1b C 12.0625 -17.5958
35 C2b C 12.0625 -13.3856
36 C2c C 10.8470 -12.6837
37 C1a C 9.6316 -13.3856
38 C1a C 9.6483 -19.0088
39 C2c C 10.8468 -19.7009
40 C2b C 12.0623 -18.9992
41 C1a C 10.8470 -11.2803
42 C1a C 10.8466 -21.1042
BOND 47
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 19 21 1
26 21 22 1
27 22 23 1
28 23 24 1
29 20 24 2
30 10 25 1 #Down
31 14 26 1 #Down
32 22 27 1 #Up
33 13 28 1 #Up
34 23 29 2
35 27 30 1
36 27 31 1
37 27 32 1
38 1 33 1
39 2 34 1
40 33 35 1
41 35 36 2
42 36 37 1
43 38 39 1
44 39 40 2
45 34 40 1
46 36 41 1
47 39 42 1
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