| Entry |
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| Name |
13-(2-Methylcrotonoyl)oxylupanine;
13-(2-Methylcrotonoyl)oxylupinine;
(+)-13alpha-Tigloyloxylupanine
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| Formula |
C20H30N2O3
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| Exact mass |
346.2256
|
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| Mol weight |
346.4638
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| Structure |
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| Reaction |
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| Pathway |
| map00960 | Tropane, piperidine and pyridine alkaloid biosynthesis |
|
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| Enzyme |
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from lysine
Quinolizidine alkaloids
C04170 13-(2-Methylcrotonoyl)oxylupanine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 25
1 C1y C 22.8285 -14.3296
2 C1x C 24.0225 -13.6378
3 C1y C 21.6159 -15.0436
4 C1x C 24.0517 -15.0260
5 N1y N 25.2295 -14.3296
6 N1y N 21.6159 -16.4378
7 C1x C 20.4030 -14.3530
8 C1y C 24.0225 -16.4321
9 C1y C 25.2295 -15.7297
10 C1x C 26.4481 -13.6143
11 C1x C 22.8402 -17.1473
12 C5x C 20.4030 -17.1531
13 C1x C 19.2020 -15.0436
14 C1x C 26.4539 -16.4261
15 C1x C 27.6724 -14.3236
16 C1x C 19.2020 -16.4378
17 O5x O 20.3972 -18.5355
18 C1y C 27.6841 -15.7355
19 O7a O 28.9035 -16.4365
20 C7a C 30.1149 -15.7306
21 C2c C 31.3311 -16.4237
22 C2b C 32.5405 -15.7236
23 C1a C 33.7569 -16.4166
24 O6a O 30.1081 -14.3233
25 C1a C 31.3342 -17.8310
BOND 28
1 8 4 1 #Up
2 5 9 1
3 5 10 1
4 6 11 1
5 6 12 1
6 7 13 1
7 9 14 1
8 10 15 1
9 12 16 1
10 12 17 2
11 14 18 1
12 8 9 1
13 8 11 1
14 13 16 1
15 15 18 1
16 18 19 1 #Down
17 1 2 1
18 19 20 1
19 1 3 1
20 20 21 1
21 1 4 1 #Up
22 21 22 2
23 2 5 1
24 22 23 1
25 3 6 1
26 20 24 2
27 3 7 1
28 21 25 1
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