Mol:FL3FACCS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.4901 -0.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4901 -1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7756 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 -1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 -0.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7756 -0.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6532 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 -1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3676 -0.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6532 -0.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6532 -2.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 -0.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6049 2.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3826 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0527 0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0438 0.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4488 0.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8405 1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7651 2.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3826 2.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4665 0.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7756 -3.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1613 -0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9141 -0.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6670 -0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6670 0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9141 0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1613 0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4194 0.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9303 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4537 -2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7673 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1049 -2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5862 -1.6765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1867 -1.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4194 -2.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0125 -2.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0263 -2.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4194 -0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3096 1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3325 3.0549 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
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
23 9 1 0 0 0 0
26 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 2 1 0 0 0 0
25 39 1 0 0 0 0
40 41 1 0 0 0 0
18 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 CH2OH
M SBV 1 45 -0.5309 -0.5309
S SKP 5
ID FL3FACCS0018
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES C(C5O)OC(C(C5O)O)c(c3O)c(c(c1c3C(O4)C(C(C(O)C4CO)O)O)C(C=C(c(c2)ccc(O)c2O)O1)=O)O
M END
