Mol:FL3FABCS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
1.4406 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7261 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7261 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4406 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4172 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4172 -1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0629 -0.4726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 -2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7261 -2.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2223 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9368 -0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6512 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6512 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9368 0.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2223 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2664 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6867 2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0698 1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4661 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2333 0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8501 0.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1909 1.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4007 2.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1051 2.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4536 2.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7389 0.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9244 0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9847 2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7818 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0603 1.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6439 1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 1.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5681 1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0115 0.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8233 1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9244 2.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5334 2.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
20 32 1 0 0 0 0
7 24 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
30 37 1 0 0 0 0
S SKP 5
ID FL3FABCS0011
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES O(C5CO)C(C(O)C(C5O)OC(O4)C(C(O)C(C4C)O)O)c(c31)c(O)cc(O)c1C(C=C(O3)c(c2)ccc(OC)c2)=O
M END
