Mol:FLIAAAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.6688 0.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9478 -0.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4936 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4936 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2411 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9884 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9884 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2411 0.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9475 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2411 -2.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7354 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7354 -2.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4498 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1644 -2.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1644 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4498 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7774 -2.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2269 -2.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0989 0.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6501 -0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0040 -0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3307 -0.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8336 0.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4936 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7774 0.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3802 -0.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3643 -0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8768 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5073 1.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4606 2.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7894 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1573 1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 1.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1926 2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8248 2.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4124 2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4450 2.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8016 1.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1115 2.7891 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 16 1 0 0 0 0
11 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
24 1 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 31 1 0 0 0 0
S SKP 5
ID FLIAAAGS0005
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES O(C1C)C(OCC(O2)C(O)C(C(C2Oc(c5)cc(O)c(c53)C(C(c(c4)ccc(c4)O)=CO3)=O)O)O)C(C(O)C(O)1)O
M END
