Mol:FL5FAAGI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.9522 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9522 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2375 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5228 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5228 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2375 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8081 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0933 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0933 0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8081 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8081 -1.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3789 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3496 0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0779 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0779 1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3496 2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3789 1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6666 0.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8061 2.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5870 -0.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2375 -1.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2375 1.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9519 2.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9519 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2375 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6664 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1258 -2.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8137 -2.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5954 -1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8137 -1.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1258 -0.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3440 -1.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2921 -1.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2420 -2.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6477 -3.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1522 -2.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1425 -0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6586 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4018 -1.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1189 -1.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5978 -0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9477 -1.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0205 -1.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9115 -1.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6666 -1.0395 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
8 20 1 0 0 0 0
3 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
32 27 1 1 0 0 0
32 33 1 0 0 0 0
27 34 1 0 0 0 0
28 35 1 0 0 0 0
29 36 1 0 0 0 0
31 20 1 0 0 0 0
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
38 43 1 0 0 0 0
39 44 1 0 0 0 0
40 45 1 0 0 0 0
33 37 1 0 0 0 0
S SKP 5
ID FL5FAAGI0004
FORMULA C31H36O14
EXACTMASS 632.21050586
AVERAGEMASS 632.60914
SMILES OC(C(O)1)C(OC(C5O)OCC(C5O)O)C(OC(=C3c(c4)ccc(c4)O)C(c(c2O)c(O3)c(CC=C(C)C)c(O)c2)=O)OC1C
M END
