| Entry |
|
|---|
| Name |
Nogalonate;
Nogalonic acid
|
|---|
| Formula |
C20H14O8
|
|---|
| Exact mass |
382.0689
|
|---|
| Mol weight |
382.3204
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00781 | Nogalavinone/aklavinone biosynthesis, deoxynogalonate/deoxyaklanonate => nogalavinone/aklavinone |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 28
1 O6a O 29.9602 -15.7943
2 C8x C 25.1481 -15.8643
3 C8x C 19.1505 -16.5463
4 C8x C 20.3488 -15.8522
5 C8y C 21.5471 -16.5559
6 C5x C 22.7453 -15.8616
7 C8y C 23.9436 -16.5655
8 C8x C 19.1464 -18.0040
9 C8y C 26.3498 -16.5655
10 C1b C 27.5481 -15.8012
11 C6a C 28.7560 -16.4955
12 O6a O 28.7573 -17.5389
13 C8y C 20.3488 -18.6984
14 C8y C 21.5377 -18.0040
15 C5x C 22.7453 -18.7080
16 C8y C 23.9343 -18.0136
17 C8y C 25.1419 -18.7173
18 O1a O 20.3394 -20.0868
19 O5x O 22.7360 -20.0964
20 O1a O 25.1326 -20.1060
21 C8y C 26.3402 -17.8139
22 O5x O 22.7472 -14.4825
23 C5a C 27.5385 -18.7873
24 C1b C 28.7464 -18.1026
25 C5a C 29.9447 -18.7969
26 C1a C 31.1430 -18.1026
27 O5a O 27.5385 -20.1853
28 O5a O 29.9351 -20.1853
BOND 30
1 3 8 1
2 14 15 1
3 3 4 2
4 15 16 1
5 2 9 2
6 16 17 1
7 17 21 2
8 5 6 1
9 13 18 1
10 9 10 1
11 15 19 2
12 17 20 1
13 5 14 2
14 7 16 2
15 10 11 1
16 9 21 1
17 11 1 1
18 6 22 2
19 6 7 1
20 11 12 2
21 23 24 1
22 7 2 1
23 24 25 1
24 8 13 2
25 25 26 1
26 4 5 1
27 23 27 2
28 13 14 1
29 25 28 2
30 21 23 1
|
|---|
