Mol:FL5FAAGL0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-0.5330 -0.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2641 -0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5409 0.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0206 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7765 0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0533 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2975 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2228 2.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0199 1.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2968 1.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9188 1.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5400 2.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2578 3.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7881 3.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6006 3.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8828 3.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3525 2.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3377 0.1797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8098 -1.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1307 4.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 2.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6449 4.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1563 3.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0957 4.0639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0407 3.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5293 4.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5899 4.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1785 4.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1430 4.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1307 4.5370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2242 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5559 -4.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0150 -3.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1734 -2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7057 -2.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1381 -3.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8756 -4.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6570 -4.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3956 -2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8975 3.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0779 2.6675 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
8 21 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
34 19 1 0 0 0 0
40 41 1 0 0 0 0
25 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 -0.8568 -0.1192
S SKP 5
ID FL5FAAGL0012
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES OC(C(O)5)C(OCC5O)Oc(c1)cc(O)c(C(=O)3)c1OC(=C3OC(C(O)4)OC(C(C(O)4)O)CO)c(c2)ccc(c2)O
M END
