| Entry |
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| Name |
12-Demethyl-11,12-dehydropaspaline
|
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| Formula |
C27H35NO2
|
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| Exact mass |
405.2668
|
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| Mol weight |
405.57
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| Structure |
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| Reaction |
|
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| Pathway |
| map00403 | Indole diterpene alkaloid biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
1.14.13.-
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 30
1 C8x C 11.4902 -15.1421
2 C8x C 11.4902 -16.5468
3 C8x C 12.6842 -17.1789
4 C8y C 13.8782 -16.5468
5 C8y C 13.8782 -15.1421
6 C8x C 12.6842 -14.4398
7 N4x N 15.2126 -16.9682
8 C8y C 16.0554 -15.8445
9 C8y C 15.2126 -14.7207
10 C1z C 17.3196 -15.4231
11 C1y C 17.3196 -14.0184
12 C1x C 16.0554 -13.5970
13 C1z C 18.5838 -16.0551
14 C1y C 19.7777 -15.4231
15 C1x C 19.7777 -14.0184
16 C1x C 18.5838 -13.3161
17 C1x C 18.5838 -17.4598
18 C1x C 19.7777 -18.1621
19 C1y C 20.9717 -17.4598
20 C2y C 20.9717 -16.0551
21 O2x O 22.1656 -18.1621
22 C1y C 23.3596 -17.4598
23 C1x C 23.3596 -16.0551
24 C2x C 22.1656 -15.4231
25 C1a C 17.3198 -16.8277
26 C1d C 24.6238 -18.1621
27 C1a C 18.0219 -14.5803
28 O1a O 25.8178 -17.4598
29 C1a C 24.6238 -19.7775
30 C1a C 25.8178 -18.8645
BOND 35
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 22 26 1 #Up
32 13 27 1 #Up
33 26 28 1
34 26 29 1
35 26 30 1
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