| Entry |
|
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| Name |
Pedilstatin;
12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate
|
|---|
| Formula |
C30H40O7
|
|---|
| Exact mass |
512.2774
|
|---|
| Mol weight |
512.63
|
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| Structure |
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|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010433 Tigliane and ingenane diterpenoids
C09143 Pedilstatin
Phytochemical compounds [BR:br08003]
Terpenoids
Diterpenoids (C20)
Tiglianes
C09143 Pedilstatin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 C1z C 32.6038 -16.4018
2 C1y C 32.6266 -17.8175
3 C1y C 31.2519 -15.7756
4 C1z C 33.8088 -17.0220
5 O7a O 33.5871 -15.5660
6 C1y C 31.4456 -18.6189
7 C1y C 30.1409 -16.5595
8 O7a O 31.2402 -14.3540
9 C1a C 35.0320 -17.7183
10 C1a C 35.0320 -16.2966
11 C1z C 30.1642 -17.9869
12 C2x C 31.7436 -19.9996
13 C1a C 28.7952 -15.9391
14 C7a C 30.0182 -13.6403
15 C1y C 28.9343 -18.5715
16 O1a O 30.1525 -19.3967
17 C2y C 30.8547 -21.0998
18 C1y C 28.6262 -19.9703
19 C2x C 27.9057 -17.8123
20 C1x C 29.4329 -21.0941
21 C1b C 31.4516 -22.3873
22 C5x C 27.0625 -19.9591
23 C2y C 26.7061 -18.5078
24 O1a O 32.8673 -22.3814
25 O5x O 26.2382 -20.9889
26 C1a C 25.4543 -17.9869
27 C7a C 33.5744 -14.2705
28 O6a O 32.4444 -13.6338
29 C1a C 34.6848 -13.6120
30 C2b C 30.0226 -12.2290
31 O6a O 28.7918 -14.3421
32 C2b C 28.8008 -11.5193
33 C2b C 27.5743 -12.2212
34 C2b C 26.3525 -11.5115
35 C1b C 25.1330 -12.2134
36 C1b C 23.9111 -11.5039
37 C1a C 22.6847 -12.2056
BOND 40
1 6 12 1
2 7 13 1 #Down
3 8 14 1
4 11 15 1
5 11 16 1 #Down
6 12 17 2
7 15 18 1
8 15 19 1
9 17 20 1
10 17 21 1
11 18 22 1
12 19 23 2
13 21 24 1
14 22 25 2
15 23 26 1
16 2 4 1
17 7 11 1
18 18 20 1
19 22 23 1
20 5 27 1
21 1 2 1
22 27 28 2
23 1 3 1
24 27 29 1
25 1 4 1
26 14 30 1
27 1 5 1 #Down
28 14 31 2
29 2 6 1
30 30 32 2
31 3 7 1
32 32 33 1
33 3 8 1 #Up
34 33 34 2
35 4 9 1
36 34 35 1
37 4 10 1
38 35 36 1
39 6 11 1
40 36 37 1
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