COMPOUND: C20605
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Entry
C20605 Compound
Name
12alpha,13alpha-Dihydroxyfumitremorgin C;
12,13-Dihydroxyfumitremorgin C
Formula
C22H25N3O5
Exact mass
411.1794
Mol weight
411.451
Structure
Mol file
KCF file
DB search
Reaction
R10414
R10457
Pathway
map00404
Staurosporine biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00786
Fumitremorgin alkaloid biosynthesis, tryptophan + proline => fumitremorgin C/A
Enzyme
1.14.14.119
2.5.1.110
Other DBs
PubChem:
172232333
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KCF data
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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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