Mol:FL5FAAGS0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.3220 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0803 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0803 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 0.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4825 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4825 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 0.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 -1.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8980 0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6124 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6124 1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8980 2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1834 1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6208 -1.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0228 0.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3269 2.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3266 -0.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1033 -2.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8950 -2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6438 -1.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8950 -1.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1033 -0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3544 -1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2854 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2462 -3.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7039 -3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1587 -2.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6800 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8883 0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1395 1.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8883 2.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6800 2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4289 2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2973 3.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8663 3.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0778 2.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3269 1.1963 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
8 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
33 19 1 0 0 0 0
S SKP 5
ID FL5FAAGS0029
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c24)(O)cc(cc2OC(=C(OC(C(O)5)OC(C)C(C5O)O)C4=O)c(c3)ccc(c3)O)OC(C(O)1)OC(C)C(O)C1O
M END
