COMPOUND: C21501
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Entry
C21501 Compound
Name
2-Acyl-4,6,6-trisprenylcyclohexa-2,4-dien-1-one;
2-Acyl-4,6,6-tris(prenyl)cyclohexa-2,4-dien-1-one;
beta-Bitter acid
Formula
C22H29O4R
Structure
Mol file
KCF file
DB search
Comment
Generic compound in reaction hierarchy
Reaction
R11611
Enzyme
2.5.1.137
Other DBs
PubChem:
333497484
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All DBs
KCF data
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ATOM 27
1 C2y C 25.8734 -13.7051
2 C2y C 25.8734 -15.0969
3 C2y C 27.0565 -15.7928
4 C2y C 28.3091 -15.0969
5 C5x C 28.3091 -13.7051
6 C1z C 27.0565 -13.0093
7 O1a O 24.6904 -13.0093
8 O5x O 29.5616 -13.0093
9 O1a O 27.0565 -17.1846
10 C5a C 29.5616 -15.7928
11 R R 30.7446 -15.0969
12 O5a O 29.5616 -17.1846
13 C1b C 24.6795 -15.8107
14 C2b C 23.4678 -15.1112
15 C2c C 22.2562 -15.8107
16 C1a C 21.0446 -15.1112
17 C1a C 22.2562 -17.2097
18 C1b C 26.3846 -11.8107
19 C2b C 24.9846 -11.8169
20 C2c C 24.2792 -10.6076
21 C1a C 22.8792 -10.6139
22 C1b C 27.7859 -11.8052
23 C2b C 29.1859 -11.8005
24 C2c C 29.8819 -10.5858
25 C1a C 31.2819 -10.5811
26 C1a C 29.1730 -9.3676
27 C1a C 24.9628 -9.4122
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 5 8 2
9 3 9 1
10 4 10 1
11 10 11 1
12 10 12 2
13 2 13 1
14 13 14 1
15 14 15 2
16 15 16 1
17 15 17 1
18 6 18 1
19 18 19 1
20 19 20 2
21 20 21 1
22 6 22 1
23 22 23 1
24 23 24 2
25 24 25 1
26 24 26 1
27 20 27 1
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