Entry |
|
Name |
8-epi-11-Hydroxyiridodial glucoside pentaacetate
|
Formula |
C26H36O13
|
Exact mass |
556.2156
|
Mol weight |
556.5562
|
Structure |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
C11667 8-epi-11-Hydroxyiridodial glucoside pentaacetate
Glycosides [BR:br08021]
O-glycosides
Iridoid glycosides
C11667 8-epi-11-Hydroxyiridodial glucoside pentaacetate
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Other DBs |
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LinkDB |
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KCF data |
ATOM 39
1 C7a C 23.5667 -18.3104
2 O7a O 24.7986 -19.0218
3 O6a O 23.5667 -16.8947
4 C1a C 22.3382 -19.0224
5 O2a O 30.8608 -18.1733
6 C1y C 29.6433 -19.0622
7 O2x O 28.4392 -18.3432
8 C1y C 29.6354 -20.4571
9 C1y C 27.2223 -19.0483
10 C1y C 28.4237 -21.1469
11 O7a O 30.8635 -21.1640
12 C1y C 27.2147 -20.4503
13 C1b C 26.0064 -18.3371
14 O7a O 28.4210 -22.5518
15 O7a O 25.9909 -21.1410
16 C7a C 32.0956 -21.8588
17 O6a O 32.0976 -23.2711
18 C1a C 33.3129 -21.1539
19 C7a C 28.4250 -23.9588
20 O6a O 27.2041 -24.6537
21 C1a C 29.6349 -24.6603
22 C7a C 24.7645 -21.8432
23 O6a O 23.5584 -21.1287
24 C1a C 24.7547 -23.2469
25 C1y C 30.8488 -16.6554
26 C1y C 29.6685 -15.9533
27 C1y C 29.6685 -14.5721
28 C1y C 28.3530 -16.3707
29 C2y C 30.8488 -13.8934
30 C1x C 28.3590 -14.1593
31 O2x O 32.0469 -15.9533
32 C1x C 27.5493 -15.2571
33 C1a C 27.3155 -17.3954
34 C2x C 32.0469 -14.5721
35 C1b C 30.8430 -12.5242
36 O7a O 32.0293 -11.8522
37 C7a C 33.2256 -12.5499
38 C1a C 34.4305 -11.8673
39 O6a O 33.2168 -13.9375
BOND 41
1 9 12 1
2 9 13 1 #Up
3 22 15 1
4 22 23 2
5 10 14 1 #Up
6 22 24 1
7 12 15 1 #Down
8 25 5 1 #Up
9 10 12 1
10 13 2 1
11 6 5 1 #Up
12 6 7 1
13 6 8 1
14 7 9 1
15 1 4 1
16 1 2 1
17 16 11 1
18 16 17 2
19 1 3 2
20 16 18 1
21 26 27 1
22 26 25 1
23 26 28 1
24 27 29 1
25 27 30 1
26 25 31 1
27 28 32 1
28 28 33 1 #Down
29 29 34 2
30 29 35 1
31 35 36 1
32 30 32 1
33 31 34 1
34 8 10 1
35 19 14 1
36 19 20 2
37 36 37 1
38 8 11 1 #Down
39 37 38 1
40 19 21 1
41 37 39 2
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