COMPOUND: C22839
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Entry
C22839 Compound
Name
delta-Araneosene;
(3aR,5E,9E)-3a,6,10-Trimethyl-1-(propan-2-yl)-2,3,3a,4,7,8,11,12-octahydrocyclopenta[11]annulene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Mol file
KCF file
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Reaction
R13230
Enzyme
4.2.3.215
LinkDB
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KCF data
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ATOM 20
1 C2y C 18.6322 -16.2918
2 C1x C 19.2225 -15.0268
3 C1x C 20.5820 -14.6901
4 C2y C 21.6836 -15.5380
5 C2x C 19.2666 -17.5499
6 C1z C 21.7176 -16.9402
7 C1x C 20.6379 -17.8336
8 C1x C 23.0616 -17.3412
9 C1x C 23.8583 -16.1868
10 C2y C 23.0067 -15.0725
11 C2x C 17.2345 -16.2127
12 C1x C 16.4671 -17.3836
13 C1x C 17.1015 -18.6417
14 C2y C 18.4992 -18.7208
15 C1a C 22.3476 -18.3626
16 C1c C 23.4146 -13.7039
17 C1a C 24.7401 -13.3883
18 C1a C 22.4450 -12.6780
19 C1a C 19.1132 -19.9386
20 C1a C 19.4247 -16.9918
BOND 21
1 3 4 1
2 4 6 1
3 2 3 1
4 5 7 1
5 1 2 1
6 6 7 1
7 6 8 1
8 8 9 1
9 9 10 1
10 4 10 2
11 1 11 2
12 11 12 1
13 12 13 1
14 13 14 1
15 5 14 2
16 6 15 1 #Up
17 10 16 1
18 16 17 1
19 16 18 1
20 14 19 1
21 1 20 1
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