Mol:FL3FABGS0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
56 61 0 0 0 0 0 0 0 0999 V2000
-0.2203 -0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2203 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 -1.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2085 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2085 -0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9230 -1.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6375 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6375 -0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9230 0.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3519 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0663 -0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7808 0.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7808 1.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0663 1.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3519 1.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9230 -2.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4941 -2.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5271 1.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9399 0.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1684 1.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6214 0.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2088 0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4106 0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6171 0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0297 0.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8280 0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2809 1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8759 1.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0415 0.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7386 0.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8780 -0.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7748 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3623 -1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5640 -0.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7705 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1831 -0.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9815 -0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0514 -1.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0466 -0.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3259 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0134 -0.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4258 -0.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0514 -2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6855 -2.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5687 -2.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3344 1.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1580 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5294 1.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2611 0.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4375 0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0660 1.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7686 0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1579 1.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1684 2.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6380 2.4629 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 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
35 39 1 0 0 0 0
34 40 1 0 0 0 0
38 41 1 0 0 0 0
41 42 1 0 0 0 0
33 43 1 0 0 0 0
39 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
36 32 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 1 0 0 0
50 49 1 1 0 0 0
51 50 1 1 0 0 0
51 52 1 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
49 54 1 0 0 0 0
48 55 1 0 0 0 0
47 56 1 0 0 0 0
29 51 1 0 0 0 0
S SKP 5
ID FL3FABGS0021
FORMULA C36H44O20
EXACTMASS 796.242593848
AVERAGEMASS 796.7225599999999
SMILES C(OC(O6)C(C(O)C(C(C)6)O)O)C(C1O)OC(Oc(c3)cc(O4)c(C(C=C(c(c5)ccc(OC)c5)4)=O)c3O)C(OC(O2)C(OC(C)=O)C(O)C(C2CO)O)C1O
M END
