Entry |
|
Name |
|
Formula |
C34H50O12
|
Exact mass |
650.3302
|
Mol weight |
650.75
|
Structure |

|
Sequence |
|
Organism |
Thapsia garganica [TAX: 79022] |
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0103 C15 isoprenoids (sesquiterpenes)
PR010341 Guaiane sesquiterpenoids
C09561 Thapsigargin
Phytochemical compounds [BR:br08003]
Terpenoids
Sesquiterpenoids (C15)
Guaianolide
C09561 Thapsigargin
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 46
1 O7a O 29.8726 -16.8365
2 C7a C 31.2779 -16.1459
3 C1b C 32.4721 -16.8365
4 C1b C 33.6732 -16.1459
5 O6a O 31.2779 -14.7651
6 C1y C 25.8613 -15.1714
7 C2y C 25.6156 -16.7404
8 C1y C 24.6351 -14.5141
9 C1z C 27.0801 -14.5068
10 C1y C 26.5312 -17.5733
11 C2y C 24.2435 -16.7178
12 C1y C 23.6407 -15.4746
13 O7a O 24.5697 -13.0021
14 C1x C 28.3575 -15.0429
15 O7a O 27.2248 -13.1213
16 C1a C 28.2848 -13.8201
17 C1z C 27.9209 -17.5748
18 O7x O 26.1585 -18.9177
19 C1a C 23.5942 -17.9346
20 O7a O 22.3379 -15.0951
21 C1y C 28.7258 -16.3801
22 C7a C 27.1985 -11.7428
23 C1z C 28.4099 -18.8024
24 O1a O 29.2998 -17.9329
25 C7x C 27.3300 -19.6783
26 C1a C 28.3882 -20.1724
27 O1a O 29.7444 -19.1692
28 O6a O 27.3263 -21.0600
29 C1a C 28.3838 -11.0258
30 O6a O 25.9898 -11.0745
31 C7a C 20.7907 -15.9276
32 C2c C 19.5965 -15.2370
33 O6a O 20.7907 -17.3084
34 C7a C 23.1872 -12.2230
35 O6a O 22.1966 -12.9045
36 C1b C 23.2014 -10.8435
37 C1a C 34.8800 -16.8455
38 C1a C 18.3880 -15.9337
39 C2b C 19.5976 -13.8420
40 C1a C 20.8063 -13.1453
41 C1b C 21.9955 -10.1430
42 C1b C 20.7907 -10.8405
43 C1b C 19.5859 -10.1430
44 C1b C 18.3811 -10.8405
45 C1b C 17.1763 -10.1430
46 C1a C 15.9672 -10.8390
BOND 48
1 21 1 1 #Down
2 23 26 1 #Up
3 23 27 1 #Down
4 25 28 2
5 11 12 1
6 17 21 1
7 23 25 1
8 2 3 1
9 22 29 1
10 1 2 1
11 22 30 2
12 3 4 1
13 31 20 1
14 31 32 1
15 2 5 2
16 6 7 1
17 6 8 1
18 6 9 1
19 31 33 2
20 7 10 1
21 7 11 2
22 8 12 1
23 8 13 1 #Up
24 9 14 1
25 9 15 1 #Up
26 9 16 1 #Down
27 10 17 1
28 10 18 1
29 34 35 2
30 34 36 1
31 34 13 1
32 4 37 1
33 32 38 1
34 11 19 1
35 32 39 2
36 12 20 1 #Down
37 39 40 1
38 36 41 1
39 14 21 1
40 41 42 1
41 15 22 1
42 42 43 1
43 17 23 1
44 43 44 1
45 17 24 1 #Up
46 44 45 1
47 18 25 1
48 45 46 1
|