| Entry |
|
|---|
| Name |
Deoxynogalonate;
12-Deoxynogalonic acid
|
|---|
| Formula |
C20H16O7
|
|---|
| Exact mass |
368.0896
|
|---|
| Mol weight |
368.3368
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00778 | Type II polyketide backbone biosynthesis, acyl-CoA + malonyl-CoA => polyketide |
| M00781 | Nogalavinone/aklavinone biosynthesis, deoxynogalonate/deoxyaklanonate => nogalavinone/aklavinone |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C8x C 7.8400 -13.8600
2 C8x C 7.8400 -15.4700
3 C8y C 9.0524 -16.1700
4 C8y C 10.2649 -15.4700
5 C8y C 10.2649 -13.8600
6 C8x C 9.0524 -13.1600
7 C5x C 11.4773 -16.1700
8 C8y C 12.6897 -15.4700
9 C8y C 12.6897 -13.8600
10 C1x C 11.4773 -13.1600
11 C8y C 13.9022 -16.1700
12 C8y C 15.1146 -15.4700
13 C8y C 15.1146 -13.8600
14 C8x C 13.9022 -13.1600
15 C1b C 16.3324 -13.1600
16 C6a C 17.5449 -13.8600
17 O6a O 18.7573 -13.1600
18 C5a C 16.3324 -16.1700
19 C1b C 17.5449 -15.4700
20 C5a C 18.7573 -16.1700
21 C1a C 19.9697 -15.4700
22 O5a O 16.3338 -17.5698
23 O5a O 18.7573 -17.5700
24 O6a O 17.5672 -14.7123
25 O5x O 11.4773 -17.5700
26 O1a O 9.0524 -17.5698
27 O1a O 13.9022 -17.5697
BOND 29
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 13 15 1
18 15 16 1
19 16 17 1
20 12 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 18 22 2
25 20 23 2
26 16 24 2
27 7 25 2
28 3 26 1
29 11 27 1
|
|---|
