| Entry |
|
|---|
| Name |
3-Isochromanone;
1,4-Dihydro-3H-2-benzopyran-3-one
|
|---|
| Formula |
C9H8O2
|
|---|
| Exact mass |
148.0524
|
|---|
| Mol weight |
148.16
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00624 | Polycyclic aromatic hydrocarbon degradation |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Enzyme |
1.14.12.-
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 11
1 C8y C 24.5765 -16.5677
2 C8y C 24.5996 -17.9711
3 C1x C 25.7818 -15.8397
4 C8x C 23.3418 -15.8863
5 C1x C 25.8343 -18.6466
6 C8x C 23.3944 -18.6932
7 C7x C 27.0048 -16.6027
8 C8x C 22.1480 -16.6084
9 O7x O 27.0398 -17.9128
10 C8x C 22.1013 -18.0118
11 O6a O 28.2219 -15.9038
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 6 10 2
10 7 11 2
11 7 9 1
12 8 10 1
|
|---|
