COMPOUND: C04720
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Entry
C04720 Compound
Name
DIMBOA;
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one;
2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one
Formula
C9H9NO5
Exact mass
211.0481
Mol weight
211.1715
Structure
Mol file
KCF file
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Reaction
R04579
R12208
Enzyme
2.4.1.202
3.2.1.182
Other DBs
CAS:
15893-52-4
PubChem:
7292
ChEBI:
18048
KNApSAcK:
C00026498
C00036461
3DMET:
B04956
NIKKAJI:
J61.255C
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KCF data
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ATOM 15
1 C8y C 18.6489 -15.8204
2 C8y C 18.6431 -17.2194
3 C8x C 17.4367 -15.1152
4 O2x O 19.8614 -15.1210
5 N1y N 19.8497 -17.9246
6 C8x C 17.4367 -17.9188
7 C8y C 16.2243 -15.8204
8 C1y C 21.0737 -15.8264
9 C5x C 21.0679 -17.2310
10 O1b O 19.8788 -19.4578
11 C8x C 16.2243 -17.2194
12 O2a O 15.0061 -15.1152
13 O1a O 22.2919 -15.1269
14 O5x O 22.2686 -17.9246
15 C1a C 13.6420 -15.9430
BOND 16
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 9 14 2
14 12 15 1
15 7 11 1
16 8 9 1
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