Mol:FL5FAIGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
1.7063 1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 3.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4207 2.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4207 1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2773 1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4371 1.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1516 1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1516 0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4371 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2773 0.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8661 1.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5806 1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5806 0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8661 0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4371 -0.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2950 1.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0529 0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8661 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1352 3.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7063 3.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0987 1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7630 1.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5001 -1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6839 -2.2631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5001 -0.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0517 -1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8654 -1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6839 -1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0938 -1.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8654 -1.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3102 -2.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8255 -2.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2381 -3.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4446 -3.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6463 -3.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2336 -2.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0271 -3.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6463 -4.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0497 -4.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7630 -3.5108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5087 -3.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3071 4.3441 0.0000 C 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
30 25 1 1 0 0 0
29 25 1 1 0 0 0
28 30 1 1 0 0 0
30 26 1 0 0 0 0
31 28 1 0 0 0 0
29 31 1 0 0 0 0
25 27 1 0 0 0 0
29 32 1 0 0 0 0
32 33 1 0 0 0 0
19 28 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
38 33 1 0 0 0 0
22 44 1 0 0 0 0
S SKP 5
ID FL5FAIGS0004
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES OC(C(OCC(C(O)2)OC(OC(=C(c(c5)cc(c(c5OC)O)OC)4)C(=O)c(c(O)3)c(O4)cc(c3)O)C2O)1)C(C(O)C(C)O1)O
M END
