Mol:FL3FACCS0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.4920 0.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4920 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0626 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0626 0.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 0.7238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6520 -0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3668 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3668 0.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6520 0.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6520 -1.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2065 0.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 -1.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1608 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9139 0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6670 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6670 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9139 2.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1608 1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4197 2.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9139 2.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9224 -0.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4777 -1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8370 -0.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1694 -0.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6681 -0.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3224 -0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4197 -0.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1710 -1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2701 -1.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5218 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8562 -2.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2130 -2.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5661 -2.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2316 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8747 -1.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2446 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2773 -2.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6905 -2.7844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5661 -2.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 11 2 0 0 0 0
1 12 1 0 0 0 0
3 13 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
14 9 1 0 0 0 0
17 20 1 0 0 0 0
18 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 30 1 0 0 0 0
25 2 1 0 0 0 0
S SKP 5
ID FL3FACCS0023
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES OC(C(O)5)C(OC(C)C5O)OC(C(O)4)C(OCC(O)4)c(c(O)1)c(cc(O2)c(C(C=C2c(c3)ccc(c3O)O)=O)1)O
M END
