Mol:FL5FECGL0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-1.1658 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1658 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4514 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2631 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2631 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4514 0.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9776 -1.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9776 0.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9776 -1.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 -0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8625 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8625 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 1.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4062 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 0.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1982 -1.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4514 -2.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6766 1.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1343 2.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6790 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1307 -0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3411 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5793 0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1328 0.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9395 0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1765 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7487 -0.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7842 -0.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3949 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9638 -1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7930 -1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6271 -1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0584 -0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2291 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8019 -0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5720 -0.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6613 -0.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 -0.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0835 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3986 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3986 -2.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4052 0.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6613 1.0319 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 15 1 0 0 0 0
16 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 18 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
33 19 1 0 0 0 0
41 42 1 0 0 0 0
2 41 1 0 0 0 0
43 44 1 0 0 0 0
35 43 1 0 0 0 0
45 46 1 0 0 0 0
28 45 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 ^ OCH3
M SBV 1 46 0.9176 -0.1174
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 CH2OH
M SBV 2 48 -0.7715 -0.1279
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 45 46
M SBL 3 1 50
M SMT 3 ^ CH2OH
M SBV 3 50 0.4657 -0.4564
S SKP 5
ID FL5FECGL0006
FORMULA C28H32O18
EXACTMASS 656.1588642199999
AVERAGEMASS 656.54288
SMILES c(c25)(C(=O)C(=C(O5)c(c4)cc(c(O)c4)O)OC(O3)C(O)C(C(O)C3CO)O)c(O)c(c(c2)OC(O1)C(O)C(O)C(C(CO)1)O)OC
M END
