Mol:FL7AADGL0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.4668 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4668 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7524 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0379 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0379 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7524 1.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6090 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6090 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3234 1.0961 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.1052 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8334 0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5616 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8334 2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1052 1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1810 1.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0977 2.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7524 -1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1314 -1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1234 -3.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4854 -3.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2985 -2.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1426 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0726 -2.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3558 -4.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7535 -3.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3249 -1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9487 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7151 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5971 -1.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9735 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2070 -1.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4588 -1.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2781 -1.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1810 -0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3740 -1.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8275 3.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3944 4.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1428 -3.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4206 -3.8127 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
25 20 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 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
32 37 1 0 0 0 0
31 38 1 0 0 0 0
24 35 1 0 0 0 0
8 20 1 0 0 0 0
39 40 1 0 0 0 0
15 39 1 0 0 0 0
41 42 1 0 0 0 0
21 41 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 OCH3
M SBV 1 44 0.0059 -0.6973
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 ^ CH2OH
M SBV 2 46 0.0195 0.7687
S SKP 5
ID FL7AADGL0003
FORMULA C27H31O15
EXACTMASS 595.166295322
AVERAGEMASS 595.52604
SMILES c(c(c5)ccc(O)c5OC)(c2OC(C3OC(C4O)OCC(C4O)O)OC(C(C3O)O)CO)[o+1]c(c1c2)cc(O)cc1O
M END
