| Entry |
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| Name |
Asclepin;
3'-O-Acetylcalotropin
|
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| Formula |
C31H42O10
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| Exact mass |
574.2778
|
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| Mol weight |
574.6592
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| Structure |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0112 Cardanolides and derivatives
C08849 Asclepin
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Cardanolide
C08849 Asclepin
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| Other DBs |
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| KCF data |
ATOM 41
1 C1z C 26.9114 -19.3919
2 C1y C 28.1141 -18.7205
3 C1y C 26.8938 -20.7700
4 C1x C 25.7261 -18.6913
5 C4a C 26.8997 -18.0082
6 C1y C 29.2295 -19.4270
7 C1x C 28.1434 -17.3483
8 C1x C 25.7027 -21.4531
9 C1x C 28.0733 -21.4764
10 C1y C 24.5290 -19.3686
11 O4a O 25.9188 -17.0272
12 C1z C 30.5024 -18.7614
13 C1x C 29.2820 -20.8050
14 C1x C 29.3521 -16.6826
15 C1y C 24.5174 -20.7525
16 O2x O 23.3261 -18.6738
17 C1z C 30.5258 -17.3891
18 C1x C 32.8788 -18.7381
19 O1a O 30.4907 -20.1335
20 O2x O 23.3144 -21.4415
21 C1z C 22.1291 -19.3628
22 C1y C 31.7228 -16.7294
23 C1a C 30.5141 -15.9996
24 C1x C 32.9022 -17.4358
25 C1y C 22.1234 -20.7408
26 C1y C 20.9380 -18.6679
27 O1a O 22.1176 -17.9789
28 C2y C 31.7168 -15.3397
29 O2x O 20.9380 -21.4356
30 C1x C 19.7353 -19.3628
31 O7a O 20.9263 -17.2841
32 C1x C 31.2906 -14.0318
33 C2x C 33.0891 -15.3397
34 C1y C 19.7353 -20.7408
35 C7a C 19.7236 -16.5951
36 O7x O 32.4001 -13.2201
37 C7x C 33.5211 -14.0318
38 C1a C 18.5383 -21.4356
39 C1a C 18.5323 -17.2841
40 O6a O 19.7236 -15.2111
41 O6a O 34.8349 -13.6055
BOND 47
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 10 16 1
16 12 17 1
17 12 18 1
18 12 19 1 #Up
19 15 20 1
20 16 21 1
21 17 22 1
22 17 23 1 #Up
23 18 24 1
24 20 25 1
25 21 26 1
26 21 27 1 #Up
27 22 28 1
28 25 29 1
29 26 30 1
30 26 31 1 #Down
31 28 32 1
32 28 33 2
33 29 34 1
34 31 35 1
35 32 36 1
36 33 37 1
37 34 38 1 #Down
38 35 39 1
39 35 40 2
40 37 41 2
41 9 13 1
42 10 15 1
43 14 17 1
44 21 25 1
45 22 24 1
46 30 34 1
47 36 37 1
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