 | | COMPOUND: C20605 | |
| Entry |
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| Name |
12alpha,13alpha-Dihydroxyfumitremorgin C;
12,13-Dihydroxyfumitremorgin C
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| Formula |
C22H25N3O5
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| Exact mass |
411.1794
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| Mol weight |
411.451
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| Structure |
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| Reaction |
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00786 | Fumitremorgin alkaloid biosynthesis, tryptophan + proline => fumitremorgin C/A |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 30
1 C8y C 18.2164 -14.4253
2 C8y C 18.2164 -15.8269
3 C1y C 19.4077 -16.5277
4 N1y N 20.6692 -15.8269
5 C1z C 20.6692 -14.4253
6 C1y C 19.4077 -13.7245
7 C5x C 21.8605 -16.5277
8 C1y C 23.0519 -15.8269
9 N1y N 23.0519 -14.4253
10 C5x C 21.8605 -13.7245
11 C1x C 24.3835 -16.2474
12 C1x C 25.2244 -15.1261
13 C1x C 24.3835 -14.0048
14 C8y C 16.8848 -14.0048
15 C8y C 16.0439 -15.1261
16 N4x N 16.8848 -16.2474
17 C8x C 16.3242 -12.7434
18 C8x C 14.9226 -12.5331
19 C8y C 14.0816 -13.7245
20 C8x C 14.6422 -14.9860
21 C2b C 19.4077 -17.9293
22 O5x O 21.8605 -17.9293
23 O5x O 21.8605 -12.3229
24 O1a O 20.6692 -13.0237
25 C2c C 20.3889 -18.9105
26 C1a C 21.7905 -18.9105
27 C1a C 20.3889 -20.3121
28 O2a O 12.7501 -13.3040
29 C1a C 12.0493 -12.1127
30 O1a O 19.3905 -12.3230
BOND 34
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 1 14 1
17 14 15 1
18 15 16 1
19 2 16 1
20 14 17 2
21 17 18 1
22 18 19 2
23 19 20 1
24 15 20 2
25 21 3 1
26 10 23 2
27 7 22 2
28 5 24 1 #Down
29 21 25 2
30 25 26 1
31 25 27 1
32 19 28 1
33 28 29 1
34 6 30 1 #Down
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