Mol:FL3FEAGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
0.3037 -0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3037 -1.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0048 -1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7057 -1.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7057 -0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0048 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4068 -1.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1079 -1.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1079 -0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4068 -0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4068 -2.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8087 -0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5231 -0.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2376 -0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2376 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5231 0.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8087 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3971 -0.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9519 0.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0048 -2.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3958 -1.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0478 1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7738 0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9073 0.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1721 0.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5105 1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3021 1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6392 1.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3696 0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5842 1.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3050 2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0311 1.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1646 1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4293 1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7677 2.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5594 2.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9519 2.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6953 1.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7413 1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5021 1.7717 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
20 3 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
25 18 1 0 0 0 0
27 30 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 28 1 0 0 0 0
26 40 1 0 0 0 0
S SKP 5
ID FL3FEAGS0007
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES c(c1)(ccc(C(=C5)Oc(c4C5=O)cc(c(c4O)O)OC(O3)C(C(C(C3C)OC(C2O)OCC(C2O)O)O)O)c1)O
M END
