COMPOUND: C20604
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Entry
C20604 Compound
Name
Fumitremorgin C;
(5aS,12S,14aS)-9-Methoxy-12-(2-methylprop-1-en-1-yl)-1,2,3,5a,6,11,12,14a-octahydro-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione
Formula
C22H25N3O3
Exact mass
379.1896
Mol weight
379.4522
Structure
Mol file
KCF file
DB search
Reaction
R10414
R10416
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
1.14.19.71
Other DBs
PubChem:
172232332
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KCF data
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ATOM 28
1 C8y C 18.1975 -14.4200
2 C8y C 18.1975 -15.8202
3 C1y C 19.4101 -16.5202
4 N1y N 20.6227 -15.8202
5 C1y C 20.6227 -14.4200
6 C1x C 19.4101 -13.7200
7 C5x C 21.8351 -16.5202
8 C1y C 23.0477 -15.8202
9 N1y N 23.0477 -14.4200
10 C5x C 21.8351 -13.7200
11 C1x C 24.3793 -16.2528
12 C1x C 25.2023 -15.1201
13 C1x C 24.3793 -13.9874
14 C8y C 16.8659 -13.9874
15 C8y C 16.0429 -15.1201
16 N4x N 16.8659 -16.2528
17 C8x C 16.2965 -12.7082
18 C8x C 14.9040 -12.5620
19 C8y C 14.0809 -13.6947
20 C8x C 14.6505 -14.9737
21 C2b C 19.4101 -17.9203
22 O5x O 21.8351 -17.9203
23 O5x O 21.8351 -12.3198
24 C2c C 20.3995 -18.9097
25 C1a C 21.7987 -18.9097
26 C1a C 20.3995 -20.3090
27 O2a O 12.7293 -13.3326
28 C1a C 12.0297 -12.1207
BOND 32
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 3 21 1
26 10 23 2
27 7 22 2
28 21 24 2
29 24 25 1
30 24 26 1
31 19 27 1
32 27 28 1
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