| Entry |
|
|---|
| Name |
3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid;
Benzoxazolinate
|
|---|
| Formula |
C11H9NO5
|
|---|
| Exact mass |
235.0481
|
|---|
| Mol weight |
235.1929
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01059 | Biosynthesis of enediyne antibiotics |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00826 | C-1027 benzoxazolinate moiety biosynthesis, chorismate => benzoxazolinyl-CoA |
|
|---|
| Enzyme |
2.1.1.-
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 17
1 C8y C 24.2830 -17.1849
2 C8x C 23.0740 -17.8942
3 C8y C 23.0889 -19.2994
4 C8x C 24.3092 -19.9891
5 C6a C 24.2703 -15.7821
6 O6a O 25.4726 -15.0663
7 O6a O 23.0482 -15.0883
8 O2a O 21.8809 -20.0174
9 C1a C 20.6576 -19.3258
10 C8y C 25.4998 -17.8736
11 C8y C 25.5068 -19.2679
12 O2x O 26.7187 -19.9627
13 C8y C 27.9239 -19.2561
14 C8y C 27.9170 -17.8616
15 N4x N 26.7049 -17.1739
16 O5x O 29.1293 -17.1576
17 C2a C 29.1432 -19.9549
BOND 18
1 3 8 1
2 4 11 1
3 8 9 1
4 10 1 1
5 1 5 1
6 1 2 2
7 5 6 1
8 2 3 1
9 10 11 2
10 11 12 1
11 12 13 1
12 13 14 1
13 14 15 1
14 15 10 1
15 5 7 2
16 14 16 2
17 3 4 2
18 13 17 2
|
|---|
