Mol:FL5FECGS0007
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-3.5767 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5767 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8756 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1745 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1745 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8756 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4733 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7722 -0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7722 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4733 0.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4733 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0714 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6432 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3577 0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3577 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6432 1.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0714 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2775 0.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0652 -1.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3827 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8942 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8337 -1.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7789 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2675 -0.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3280 -1.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4664 -0.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 -0.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2775 -1.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0720 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8756 -1.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6432 2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6508 -1.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1707 -0.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1707 -2.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1308 -1.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2303 -1.7255 0.0000 C 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
23 32 1 0 0 0 0
35 36 1 0 0 0 0
2 35 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 32 33 34
M SBL 1 1 37
M SMT 1 COOH
M SBV 1 37 -0.8719 -0.1094
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 39
M SMT 2 ^OCH3
M SBV 2 39 0.5541 0.3199
S SKP 5
ID FL5FECGS0007
FORMULA C22H20O14
EXACTMASS 508.085305348
AVERAGEMASS 508.3858
SMILES c(c(C(=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)3)Oc(c(C3=O)2)cc(c(OC)c2O)O)1)cc(c(c1)O)O
M END
</pre>
