COMPOUND: C20520
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Entry
C20520 Compound
Name
Albonoursin;
(3Z,6Z)-3-Benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione
Formula
C15H16N2O2
Exact mass
256.1212
Mol weight
256.2997
Structure
Mol file
KCF file
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Reaction
R10328
R10329
Enzyme
1.3.3.13
Other DBs
CAS:
1222-90-8
PubChem:
172232269
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All DBs
KCF data
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ATOM 19
1 C2y C 18.0011 -15.4803
2 N1x N 18.0011 -16.8969
3 C5x C 19.2281 -17.6052
4 C2y C 20.4550 -16.8969
5 N1x N 20.4550 -15.4803
6 C5x C 19.2281 -14.7719
7 O5x O 19.2281 -13.3553
8 O5x O 19.2281 -19.0220
9 C2b C 16.8092 -14.7919
10 C2b C 21.6535 -17.5892
11 C8y C 15.6144 -15.4816
12 C1c C 22.8475 -16.8999
13 C1a C 24.0460 -17.5921
14 C1a C 22.8478 -15.4871
15 C8x C 14.4281 -14.7968
16 C8x C 13.2132 -15.4981
17 C8x C 13.2132 -16.9010
18 C8x C 14.3994 -17.5859
19 C8x C 15.6143 -16.8845
BOND 20
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 2
8 3 8 2
9 1 9 2
10 4 10 2
11 9 11 1
12 10 12 1
13 12 13 1
14 12 14 1
15 11 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 11 19 1
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