COMPOUND: C15771
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Entry
C15771 Compound
Name
TRIBOA;
2,4,7-Trihydroxy-2H-1,4-benzoxazin-3(4H)-one
Formula
C8H7NO5
Exact mass
197.0324
Mol weight
197.1449
Structure
Mol file
KCF file
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Other DBs
PubChem:
47205097
ChEBI:
63746
NIKKAJI:
J2.710.714A
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KCF data
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ATOM 14
1 C8y C 23.6811 -17.7191
2 C8y C 23.6811 -19.1158
3 N1y N 24.8906 -19.8141
4 C5x C 26.1002 -19.1158
5 C1y C 26.1002 -17.7191
6 O2x O 24.8906 -17.0208
7 C8x C 22.4716 -17.0208
8 C8y C 21.2620 -17.7191
9 C8x C 21.2620 -19.1158
10 C8x C 22.4716 -19.8141
11 O5x O 27.3284 -19.8251
12 O1a O 27.3284 -17.0098
13 O1b O 24.8906 -21.2141
14 O1a O 20.0593 -17.0245
BOND 15
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 4 11 2
13 5 12 1
14 3 13 1
15 8 14 1
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