| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C21H18O9
|
|---|
| Exact mass |
414.0951
|
|---|
| Mol weight |
414.36
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00782 | Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin |
|
|---|
| Enzyme |
2.1.1.- 2.4.1.-
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1312 Other aromatic polyketides
C12383 Premithramycinone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 O1a O 33.3558 -18.6686
2 C1x C 28.6205 -18.6686
3 C8y C 22.7024 -19.3302
4 C8x C 23.8885 -18.6565
5 C8y C 25.0749 -19.3397
6 C8x C 26.2514 -18.6658
7 C8y C 27.4378 -19.3397
8 C8x C 22.7079 -20.6955
9 C1y C 29.8100 -19.3491
10 C1y C 30.9963 -18.6754
11 C2y C 32.1029 -19.3491
12 C8y C 23.8885 -21.3881
13 C8y C 25.0653 -20.7049
14 C8y C 26.2421 -21.3977
15 C8y C 27.4282 -20.7144
16 C5x C 28.6143 -21.3977
17 C1z C 29.8007 -20.7240
18 C5x C 30.9868 -21.4072
19 C2y C 32.1635 -20.7240
20 C5a C 33.3496 -21.4166
21 C1a C 34.5358 -20.7333
22 O1a O 23.8792 -22.7546
23 O1a O 26.2421 -22.7641
24 O5x O 28.6050 -22.7737
25 O5x O 30.9772 -22.7737
26 O5a O 33.3401 -22.7830
27 O1a O 21.5068 -18.6565
28 O1a O 29.7911 -22.1094
29 O2a O 30.9868 -17.2900
30 C1a C 32.1806 -16.5842
BOND 33
1 15 16 1
2 2 9 1
3 16 17 1
4 5 6 1
5 17 18 1
6 9 10 1
7 18 19 1
8 19 20 1
9 10 11 1
10 20 21 1
11 11 1 1
12 12 22 1
13 6 7 2
14 14 23 1
15 8 12 1
16 16 24 2
17 7 2 1
18 18 25 2
19 12 13 2
20 20 26 2
21 4 5 2
22 3 27 1
23 5 13 1
24 7 15 1
25 9 17 1
26 11 19 2
27 13 14 1
28 3 8 2
29 17 28 1 #Down
30 14 15 2
31 10 29 1 #Down
32 3 4 1
33 29 30 1
|
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