COMPOUND: C21840
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Entry
C21840 Compound
Name
12-epi-Fischerindole U;
(6aS,9S,10R,10aS)-9-Ethenyl-10-isocyano-6,6,9-trimethyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
Formula
C21H24N2
Exact mass
304.1939
Mol weight
304.43
Structure
Mol file
KCF file
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Reaction
R12006
R12166
Enzyme
1.14.20.14
5.5.1.33
Other DBs
PubChem:
375580933
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KCF data
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ATOM 23
1 C8x C 8.2600 -16.5200
2 C8x C 8.2600 -17.9200
3 C8x C 9.4724 -18.6200
4 C8y C 10.6849 -17.9200
5 C8y C 10.6849 -16.5200
6 C8x C 9.4724 -15.8200
7 N4x N 12.0164 -18.3526
8 C8y C 12.8393 -17.2200
9 C8y C 12.0164 -16.0874
10 C1z C 14.1708 -16.7874
11 C1y C 14.1708 -15.3874
12 C1y C 12.8393 -14.9547
13 C1x C 15.2112 -14.4506
14 C1x C 14.9201 -13.0812
15 C1z C 13.5886 -12.6485
16 C1y C 12.5482 -13.5853
17 C1a C 14.5331 -18.1397
18 C1a C 15.5708 -16.7874
19 N3a N 11.1987 -13.1469 #+
20 C3a C 9.8464 -12.7845 #-
21 C1a C 13.3013 -11.2980
22 C2b C 14.2886 -11.4361
23 C2a C 15.6798 -11.4359
BOND 26
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 11 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 12 16 1
20 10 17 1
21 10 18 1
22 16 19 1 #Up
23 19 20 3
24 15 21 1 #Up
25 15 22 1 #Down
26 22 23 2
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