Mol:FL5FAIGA0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-3.3642 0.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3642 -0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6498 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9353 -0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9353 0.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6498 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5064 -0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5064 0.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -1.5366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3932 0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1214 0.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8496 0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8496 1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1214 2.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3932 1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2177 0.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6498 -1.6161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4682 2.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8126 -0.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 -1.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0714 -1.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7883 -0.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2674 -0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6174 -0.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2029 -0.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6573 -1.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5411 -1.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8116 -1.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0408 -3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8702 -3.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2614 -2.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9892 -2.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0364 -2.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6625 -3.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2977 -3.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2821 -3.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1975 -2.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 -2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4242 -3.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0582 -2.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0581 -2.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7394 -3.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1622 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2177 -0.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5578 0.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8421 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1362 2.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 3.9851 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
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
4 3 1 0 0 0 0
1 18 1 0 0 0 0
19 3 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 8 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
36 40 1 0 0 0 0
34 29 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
45 46 1 0 0 0 0
25 45 1 0 0 0 0
47 48 1 0 0 0 0
14 47 1 0 0 0 0
49 50 1 0 0 0 0
16 49 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 45 46
M SBL 1 1 50
M SMT 1 CH2OH
M SBV 1 50 -0.8949 0.2296
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 47 48
M SBL 2 1 52
M SMT 2 OCH3
M SBV 2 52 -0.7082 0.2489
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 49 50
M SBL 3 1 54
M SMT 3 OCH3
M SBV 3 54 -0.0147 -0.6561
S SKP 5
ID FL5FAIGA0002
FORMULA C31H36O19
EXACTMASS 712.18507897
AVERAGEMASS 712.6061400000001
SMILES OC(C1OC(O5)C(C(O)C(O)C(COC(C)=O)5)O)C(CO)OC(OC(C(=O)3)=C(c(c4)cc(OC)c(O)c4OC)Oc(c23)cc(cc(O)2)O)C1O
M END
