Mol:FL5FADGA0024
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
55 60 0 0 0 0 0 0 0 0999 V2000
-3.5846 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5846 0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8838 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1830 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8838 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4821 -0.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7813 0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7813 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4821 1.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4821 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6335 1.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3478 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3478 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6335 2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8838 -0.9564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3932 -1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9048 -2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8439 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7888 -2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2852 -1.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3380 -1.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5770 -1.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3055 0.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8173 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7564 -0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7011 -0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1897 0.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2505 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 0.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0261 1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5361 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0800 -0.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2441 -2.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 -2.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7695 -3.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4661 0.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2852 1.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9658 2.7180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8957 -3.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3236 -3.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0189 -3.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4501 -3.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3109 -3.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7236 -3.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5486 -3.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9611 -3.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5486 -4.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7236 -4.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7857 -3.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6413 3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1974 4.4804 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
3 18 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
1 41 1 0 0 0 0
15 42 1 0 0 0 0
37 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
54 55 1 0 0 0 0
16 54 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 54 55
M SBL 1 1 60
M SMT 1 OCH3
M SBV 1 60 -0.0078 -0.6419
S SKP 5
ID FL5FADGA0024
FORMULA C37H38O18
EXACTMASS 770.205814412
AVERAGEMASS 770.6868199999999
SMILES CC(C1OC(=O)C=Cc(c6)ccc(O)c6)OC(OCC(C2O)OC(OC(=C4c(c5)ccc(O)c5OC)C(=O)c(c3O)c(O4)cc(c3)O)C(C2O)O)C(C1O)O
M END
</pre>
