COMPOUND: C21331
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Entry
C21331 Compound
Name
Aurachin C epoxide;
2-Hydroxy-1a-methyl-7a-[(2E,6E)-farnesyl]-1a,2-dihydrooxireno[2,3-b]quinolin-7(7aH)-one
Formula
C25H33NO3
Exact mass
395.246
Mol weight
395.5344
Structure
Mol file
KCF file
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Reaction
R11384
R11385
R11386
Enzyme
1.14.13.222
Other DBs
PubChem:
319075055
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KCF data
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ATOM 29
1 C8x C 8.9560 -15.4630
2 C8x C 8.9560 -16.8624
3 C8x C 10.2154 -17.5621
4 C8y C 11.4048 -16.8624
5 C8y C 11.4048 -15.4630
6 C8x C 10.2154 -14.7633
7 N1y N 12.5943 -17.5621
8 C1z C 13.8537 -16.8624
9 C1z C 13.8537 -15.4630
10 C5x C 12.5943 -14.7633
11 O5x O 12.5943 -13.3640
12 O1b O 12.5943 -18.9614
13 C1a C 15.0432 -17.5621
14 C1b C 15.0432 -14.7633
15 C2b C 16.2327 -15.4630
16 C2c C 17.4221 -14.7633
17 C1b C 18.6816 -15.4630
18 C1b C 19.8710 -14.7633
19 C2b C 21.0606 -15.4630
20 C2c C 22.3200 -14.7633
21 C1b C 23.5095 -15.4630
22 C1b C 24.6989 -14.7633
23 C2b C 25.9584 -15.4630
24 C1a C 17.4221 -13.3640
25 C1a C 22.3200 -13.3640
26 C2c C 27.1478 -14.7633
27 C1a C 28.3373 -15.4630
28 C1a C 27.1478 -13.3640
29 O2x O 15.0662 -16.1630
BOND 31
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 2
13 7 12 1
14 8 13 1
15 9 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 22 23 1
25 16 24 1
26 20 25 1
27 23 26 2
28 26 27 1
29 26 28 1
30 9 29 1
31 29 8 1
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