COMPOUND: C20515
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Entry
C20515 Compound
Name
Pulcherriminic acid;
2,5-Dihydroxy-3,6-bis(2-methylpropyl)pyrazine bis-N-oxide
Formula
C12H20N2O4
Exact mass
256.1423
Mol weight
256.2982
Structure
Mol file
KCF file
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Reaction
R10322
Enzyme
1.14.15.13
Other DBs
CAS:
957-86-8
PubChem:
172232264
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KCF data
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ATOM 18
1 C8y C 17.4098 -15.5223
2 N5y N 17.4098 -16.9363 #+
3 C8y C 18.6345 -17.6434
4 C8y C 19.8592 -16.9363
5 N5y N 19.8592 -15.5223 #+
6 C8y C 18.6345 -14.8152
7 O1a O 18.6345 -13.4012
8 O1a O 18.6345 -19.0577
9 C1b C 16.2200 -14.8351
10 C1b C 21.0556 -17.6274
11 C1c C 15.0273 -15.5236
12 C1c C 22.2474 -16.9393
13 C1a C 13.8316 -14.8329
14 C1a C 15.0270 -16.9344
15 C1a C 23.4438 -17.6303
16 C1a C 22.2477 -15.5291
17 O3a O 21.4315 -14.6063 #-
18 O3a O 16.0023 -17.9080 #-
BOND 18
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 6 7 1
8 3 8 1
9 1 9 1
10 4 10 1
11 9 11 1
12 10 12 1
13 11 13 1
14 11 14 1
15 12 15 1
16 12 16 1
17 5 17 1
18 2 18 1
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