COMPOUND: C10659
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Entry
C10659 Compound
Name
Deoxyvasicinone;
2,3-Trimethylene-4-quinazolone
Formula
C11H10N2O
Exact mass
186.0793
Mol weight
186.21
Structure
Mol file
KCF file
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Other DBs
CAS:
530-53-0
PubChem:
12842
ChEBI:
4435
KNApSAcK:
C00002150
NIKKAJI:
J324.098C
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KCF data
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ATOM 14
1 N5x N 26.8278 -19.8025
2 C8y C 26.8278 -17.0027
3 C8y C 25.6197 -17.7026
4 C8y C 25.6256 -19.1025
5 C8x C 24.4163 -19.8076
6 C8x C 23.2010 -19.1129
7 C8x C 23.1949 -17.7130
8 C8x C 24.4042 -17.0080
9 C8y C 28.0431 -19.1025
10 N4y N 28.0389 -17.6998
11 C1x C 29.3717 -17.2623
12 C1x C 30.1995 -18.3948
13 C1x C 29.3784 -19.5320
14 O5x O 26.8411 -15.6028
BOND 16
1 4 5 1
2 5 6 2
3 6 7 1
4 7 8 2
5 8 3 1
6 9 1 2
7 1 4 1
8 3 2 1
9 2 10 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 9 1
15 3 4 2
16 2 14 2
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