Mol:FL5FACGL0043
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
-1.4779 0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7669 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7669 1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6551 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3662 0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3662 0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6551 1.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6551 -0.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0769 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8016 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5263 1.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5263 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8016 2.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0769 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1887 1.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0999 -0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7669 -0.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2605 -1.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8315 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6565 -2.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4867 -2.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9158 -1.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0907 -2.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4636 -2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4360 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0069 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8319 -0.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6621 -0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0913 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2661 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6198 0.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8341 0.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8984 0.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4219 -0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7406 -1.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2963 -2.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1606 -3.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4880 -3.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3365 2.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8016 3.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9332 1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4149 0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6687 0.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8910 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4719 1.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2341 1.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7191 0.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2228 0.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9923 0.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8614 1.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9158 1.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3342 2.7348 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 18 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
49 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 53 54 55
M SBL 1 1 60
M SMT 1 ^COOH
M SBV 1 60 0.6272 -0.5803
S SKP 5
ID FL5FACGL0043
FORMULA C33H38O22
EXACTMASS 786.1854728999999
AVERAGEMASS 786.64162
SMILES O(C(C6O)OC(C(O)=O)C(O)C(O)6)c(c5)cc(c(c(O)5)2)OC(=C(OC(C(O)3)OC(COC(C4O)OC(C(C4O)O)C)C(O)C3O)C2=O)c(c1)ccc(O)c(O)1
M END
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