Entry |
|
Name |
Deoxyloganin tetraacetate
|
Formula |
C25H34O13
|
Exact mass |
542.1999
|
Mol weight |
542.5297
|
Structure |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
C11646 Deoxyloganin tetraacetate
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Other DBs |
|
LinkDB |
|
KCF data |
ATOM 38
1 C7a C 24.0932 -18.4896
2 O7a O 25.3182 -19.1940
3 O6a O 24.0932 -17.0805
4 C1a C 22.8717 -19.1946
5 O2a O 31.3536 -18.3454
6 C1y C 30.1358 -19.2273
7 O2x O 28.9384 -18.5224
8 C1y C 30.1978 -20.6223
9 C1y C 27.7283 -19.2134
10 C1y C 28.9228 -21.3125
11 O7a O 31.3563 -21.3295
12 C1y C 27.7207 -20.6084
13 C1b C 26.5264 -18.5163
14 O7a O 28.9201 -22.7107
15 O7a O 26.5108 -21.3066
16 C7a C 32.5814 -22.0175
17 O6a O 32.5835 -23.4229
18 C1a C 33.7920 -21.3192
19 C7a C 28.9242 -24.1107
20 O6a O 27.7101 -24.7986
21 C1a C 30.1273 -24.8052
22 C7a C 25.2913 -21.9949
23 O6a O 24.0848 -21.2940
24 C1a C 25.2813 -23.3918
25 C1y C 31.3837 -16.3971
26 C1y C 30.2032 -15.7021
27 C1y C 30.2032 -14.3278
28 C1y C 28.8944 -16.1266
29 C2y C 31.3837 -13.6490
30 C1x C 28.9003 -13.9150
31 O2x O 32.5748 -15.7021
32 C1x C 28.1045 -15.0057
33 C1a C 28.4766 -17.4121
34 C2x C 32.5748 -14.3278
35 C7a C 31.3780 -12.2863
36 O7a O 32.5573 -11.6213
37 O6a O 30.1916 -11.6272
38 C1a C 33.7310 -12.2863
BOND 40
1 19 20 2
2 8 11 1 #Down
3 19 21 1
4 9 12 1
5 9 13 1 #Up
6 22 15 1
7 22 23 2
8 10 14 1 #Up
9 22 24 1
10 12 15 1 #Down
11 25 5 1 #Up
12 10 12 1
13 13 2 1
14 6 5 1 #Up
15 6 7 1
16 6 8 1
17 7 9 1
18 1 4 1
19 1 2 1
20 16 11 1
21 16 17 2
22 1 3 2
23 16 18 1
24 8 10 1
25 19 14 1
26 26 27 1
27 26 25 1
28 26 28 1
29 27 29 1
30 27 30 1
31 25 31 1
32 28 32 1
33 28 33 1 #Up
34 29 34 2
35 29 35 1
36 35 36 1
37 35 37 2
38 36 38 1
39 30 32 1
40 31 34 1
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