Mol:FL3FABCS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-2.4134 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4134 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9846 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9846 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4443 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4443 -0.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 -0.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 -2.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9200 -0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5341 2.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9730 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3780 0.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7697 1.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8187 2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3345 2.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4253 0.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6990 -2.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3174 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0702 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8231 -0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8231 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0702 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3174 0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9247 0.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2500 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4641 0.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2500 1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9247 1.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7107 1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6373 2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2500 1.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2748 1.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4930 0.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2871 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3697 1.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5755 0.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4930 0.3856 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
9 23 1 0 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 29 1 1 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
34 37 1 0 0 0 0
29 38 1 0 0 0 0
30 21 1 0 0 0 0
39 40 1 0 0 0 0
18 39 1 0 0 0 0
41 42 1 0 0 0 0
26 41 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 -0.4826 -0.4733
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 46
M SMT 2 OCH3
M SBV 2 46 -0.7524 -0.4343
S SKP 5
ID FL3FABCS0005
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES C(O)C(O1)C(O)C(C(OC(O5)C(O)C(O)C(C(C)5)O)C(c(c(O)4)c(O2)c(c(c4)O)C(=O)C=C2c(c3)ccc(OC)c3)1)O
M END
