Mol:FL3FAADS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-3.1851 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1851 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4707 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7562 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7562 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4707 0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 -0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 0.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 -1.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4707 -2.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5458 0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2986 0.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0515 0.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0515 1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2986 1.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5458 1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8040 1.8179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2789 -0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6167 -1.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9545 -1.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0538 -1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6895 -0.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4048 -0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2789 -0.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3123 -1.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9201 0.3937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4473 -1.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0102 2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4638 1.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2363 1.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9033 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4498 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6772 1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2673 2.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3185 2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9901 1.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5632 0.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3123 0.2346 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 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 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 1 0 0 0 0
30 31 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 30 1 0 0 0 0
30 36 1 0 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
31 19 1 0 0 0 0
39 40 1 0 0 0 0
33 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 44
M SMT 1 CH2OH
M SBV 1 44 -0.6599 0.1768
S SKP 5
ID FL3FAADS0024
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c4)(ccc(OC(O5)C(O)C(O)C(O)C5CO)c4)C(O1)=CC(c(c(O)2)c1cc(c(C(C(O)3)OCC(O)C(O)3)2)O)=O
M END
