| Entry |
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|---|
| Name |
Tetracenomycin D3 methylester
|
|---|
| Formula |
C21H14O8
|
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| Exact mass |
394.0689
|
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| Mol weight |
394.33
|
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| Structure |
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| Reaction |
|
|---|
| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1312 Other aromatic polyketides
C12375 Tetracenomycin D3 methylester
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C8x C 28.0159 -18.2536
2 C8y C 22.0998 -18.9267
3 C8x C 23.2800 -18.2509
4 C8y C 24.4695 -18.9267
5 C5x C 25.6497 -18.2605
6 C8y C 26.8392 -18.9361
7 C8x C 22.0957 -20.3570
8 C8y C 29.1993 -18.9457
9 C8x C 30.3890 -18.2605
10 C8y C 31.5689 -18.9457
11 C8y C 23.2704 -21.0422
12 C8y C 24.5299 -20.3663
13 C5x C 25.6401 -21.0515
14 C8y C 26.8296 -20.3759
15 C8y C 28.0097 -21.0611
16 C8y C 29.1899 -20.3855
17 C8y C 30.3794 -21.0707
18 C8y C 31.5689 -20.3855
19 O1a O 23.2608 -22.4126
20 O5x O 25.6305 -22.4220
21 O1a O 28.0001 -22.4316
22 C1a C 30.3698 -22.4316
23 O1a O 20.9007 -18.2509
24 C7a C 32.7534 -21.0634
25 O7a O 33.9446 -20.3807
26 O6a O 32.7562 -22.4338
27 O5x O 25.6401 -16.8900
28 O1a O 32.7491 -18.2700
29 C1a C 35.1313 -21.0707
BOND 32
1 14 15 1
2 1 8 2
3 15 16 2
4 4 5 1
5 16 17 1
6 8 9 1
7 17 18 2
8 11 19 1
9 9 10 2
10 13 20 2
11 5 6 1
12 15 21 1
13 7 11 1
14 17 22 1
15 6 1 1
16 2 23 1
17 4 12 1
18 6 14 2
19 8 16 1
20 10 18 1
21 11 12 2
22 18 24 1
23 3 4 2
24 24 25 1
25 12 13 1
26 24 26 2
27 2 7 2
28 5 27 2
29 13 14 1
30 10 28 1
31 2 3 1
32 25 29 1
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