Entry |
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Name |
Phorbol 12-tiglate 13-decanoate
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Formula |
C35H52O8
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Exact mass |
600.3662
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Mol weight |
600.7826
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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
C09157 Phorbol 12-tiglate 13-decanoate
Phytochemical compounds [BR:br08003]
Terpenoids
Diterpenoids (C20)
Tiglianes
C09157 Phorbol 12-tiglate 13-decanoate
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Other DBs |
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LinkDB |
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KCF data |
ATOM 43
1 C1b C 28.6708 -14.0506
2 C1b C 29.8801 -14.7581
3 C1b C 31.0894 -14.0506
4 C1b C 32.2928 -14.7581
5 C1b C 33.5021 -14.0506
6 C1b C 34.7114 -14.7581
7 C1b C 35.9205 -14.0506
8 C1b C 37.1310 -14.7581
9 C1a C 38.3344 -14.0506
10 C1z C 26.6320 -17.1526
11 C1y C 26.5854 -18.5607
12 C1y C 25.2301 -16.5328
13 C1z C 27.7537 -17.7653
14 O7a O 27.4089 -16.1656
15 C1y C 25.4171 -19.3374
16 C1y C 24.1316 -17.3164
17 O7a O 25.2124 -15.1307
18 C1a C 29.1034 -18.4021
19 C1a C 28.9572 -17.0533
20 C1z C 24.1551 -18.7186
21 C2x C 25.7154 -20.7044
22 C1a C 22.8055 -16.6966
23 C1y C 22.8991 -19.3081
24 O1a O 24.1434 -20.1151
25 C2y C 24.8324 -21.7850
26 C1z C 22.5717 -20.8035
27 C2x C 21.7075 -18.5724
28 C1x C 23.4301 -21.7733
29 C5x C 21.1812 -20.7746
30 O1a O 22.5600 -22.0657
31 C2y C 20.6491 -19.4776
32 O5x O 20.4444 -21.9663
33 C1a C 19.2877 -19.1502
34 C7a C 27.4657 -14.7615
35 O6a O 26.2476 -14.0733
36 C1b C 25.5355 -22.9943
37 O1a O 26.9346 -22.9938
38 C7a C 23.9921 -14.4464
39 C2c C 24.0445 -13.0475
40 O6a O 22.7892 -15.1610
41 C1a C 25.1772 -12.3327
42 C2b C 22.7541 -12.3632
43 C1a C 22.7365 -10.9642
BOND 46
1 10 11 1
2 10 12 1
3 10 13 1
4 10 14 1 #Down
5 11 15 1
6 12 16 1
7 12 17 1 #Up
8 13 18 1
9 13 19 1
10 15 20 1
11 15 21 1
12 16 22 1 #Down
13 20 23 1
14 20 24 1 #Down
15 21 25 2
16 23 26 1
17 23 27 1
18 25 28 1
19 26 29 1
20 26 30 1 #Up
21 27 31 2
22 29 32 2
23 31 33 1
24 11 13 1
25 16 20 1
26 26 28 1
27 29 31 1
28 6 7 1
29 14 34 1
30 34 1 1
31 7 8 1
32 34 35 2
33 8 9 1
34 25 36 1
35 36 37 1
36 17 38 1
37 1 2 1
38 38 39 1
39 2 3 1
40 38 40 2
41 3 4 1
42 39 41 1
43 4 5 1
44 39 42 2
45 5 6 1
46 42 43 1
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