Mol:FL3FACGSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-3.1947 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1947 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0422 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0422 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8899 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 1.1116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4662 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3140 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2732 0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8604 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8604 1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2732 2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3140 1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8583 1.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 -0.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6197 2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7741 1.1620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.7741 2.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7741 0.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5239 1.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9786 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9307 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8887 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3840 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4317 -0.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5966 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9377 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4424 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3947 0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3526 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8957 1.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0812 1.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4761 1.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5239 1.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0158 0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2815 0.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4861 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3327 -2.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8901 -2.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5402 0.7991 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 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 12 1 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
25 31 1 0 0 0 0
32 33 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 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
29 42 1 0 0 0 0
41 42 1 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
28 45 1 0 0 0 0
14 46 1 0 0 0 0
33 46 1 0 0 0 0
S SKP 5
ID FL3FACGSS001
FORMULA C27H30O18S
EXACTMASS 674.115284846
AVERAGEMASS 674.5823
SMILES O(C1C)C(OCC(C(O)2)OC(Oc(c3O)cc(C(=C4)Oc(c5)c(c(cc5OS(O)(=O)=O)O)C(=O)4)cc3)C(O)C2O)C(C(O)C(O)1)O
M END
