| Entry |
|
|---|
| Name |
Aklanonate;
Aklanonic acid;
[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid
|
|---|
| Formula |
C21H16O8
|
|---|
| Exact mass |
396.0845
|
|---|
| Mol weight |
396.3469
|
|---|
| 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 |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 23.0423 -8.0879
2 C8x C 23.0423 -9.6861
3 C8y C 24.2457 -10.3809
4 C8y C 25.4493 -9.6861
5 C8y C 25.4493 -8.0879
6 C8x C 24.2457 -7.3931
7 C5x C 26.6528 -10.3809
8 C8y C 27.8563 -9.6861
9 C8y C 27.8563 -8.0879
10 C5x C 26.6528 -7.3931
11 C8y C 29.0598 -10.3809
12 C8y C 30.2633 -9.6861
13 C8y C 30.2633 -8.0879
14 C8x C 29.0598 -7.3931
15 C1b C 31.4721 -7.3931
16 C6a C 32.6757 -8.0879
17 O6a O 33.8792 -7.3931
18 C5a C 31.4721 -10.3809
19 C1b C 32.6757 -9.6861
20 C5a C 33.8792 -10.3809
21 C1b C 35.0826 -9.6861
22 O5a O 31.4735 -11.7704
23 O5a O 33.8792 -11.7706
24 O6a O 32.6978 -8.9340
25 O5x O 26.6528 -11.7706
26 O1a O 24.2457 -11.7704
27 O1a O 29.0598 -11.7703
28 C1a C 36.2744 -10.3738
29 O5x O 26.6531 -6.0201
BOND 31
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
30 21 28 1
31 10 29 2
|
|---|
