Mol:FL3FABGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
56 61 0 0 0 0 0 0 0 0999 V2000
-0.3569 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3569 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3575 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0720 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0720 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3575 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7864 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5009 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5009 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7864 0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2154 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9297 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6442 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6442 0.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9297 1.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2154 0.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7864 -2.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3575 -2.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0765 -0.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0318 0.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7745 0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3619 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5636 -0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7702 -0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1827 0.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9810 0.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3223 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9232 0.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3182 0.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9949 -0.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0324 -0.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7014 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4161 2.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1893 1.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3985 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6838 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9105 1.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0318 0.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7073 2.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2631 3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7816 2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2168 -2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4095 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0314 -1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3323 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1397 -1.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5178 -1.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1198 -1.7938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8945 -3.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4592 -2.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1465 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6148 -2.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6189 -2.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0893 -1.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0700 -1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
19 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 20 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 29 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
45 49 1 0 0 0 0
44 50 1 0 0 0 0
43 51 1 0 0 0 0
48 52 1 0 0 0 0
52 53 1 0 0 0 0
53 55 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
46 32 1 0 0 0 0
S SKP 5
ID FL3FABGS0022
FORMULA C36H44O20
EXACTMASS 796.242593848
AVERAGEMASS 796.7225599999999
SMILES OC(C1COC(O6)C(O)C(C(O)C6C)O)C(C(OC(O5)C(O)C(O)C(O)C5COC(C)=O)C(Oc(c2)cc(O3)c(C(=O)C=C3c(c4)ccc(OC)c4)c2O)O1)O
M END
