Mol:FL3FFAGS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-0.0605 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0605 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3684 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3684 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0828 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7973 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7973 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0828 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5118 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2262 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9406 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9406 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2262 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5118 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0828 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5645 1.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6962 0.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 1.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3930 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9804 0.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1821 0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3886 0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8012 0.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5996 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6683 -0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5675 0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9535 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0415 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6289 -0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8305 -0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0371 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4496 -0.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2480 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6307 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3152 0.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5645 -0.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3237 -0.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4011 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
6 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
24 28 1 0 0 0 0
23 29 1 0 0 0 0
22 30 1 0 0 0 0
25 20 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
36 37 1 0 0 0 0
37 38 1 0 0 0 0
31 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 28 1 0 0 0 0
S SKP 5
ID FL3FFAGS0013
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES C(C4O)(O)C(OC(C(O)5)OC(C(O)C5O)CO)C(OC4)Oc(c(O)1)cc(c(C3=O)c(OC(=C3)c(c2)ccc(O)c2)1)O
M END
