Mol:FL5FAGGS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
1.3979 0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6834 0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6834 1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3979 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1124 1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1124 0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0310 0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4599 0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4599 -0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 -0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0310 -0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 0.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 -0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 -0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7454 -1.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6033 0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6834 -0.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 -1.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8269 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3979 3.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7903 0.5541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5748 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2661 -1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0140 -0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1977 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5063 -0.6137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7582 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3069 -1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1594 -2.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7135 -2.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2187 -2.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6033 -0.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4123 -1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5556 -2.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1125 -2.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9342 -2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0775 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4093 -1.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2288 -2.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0413 -3.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -2.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8888 -2.2272 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
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 23 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
39 38 1 1 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
38 41 1 0 0 0 0
37 42 1 0 0 0 0
36 43 1 0 0 0 0
35 44 1 0 0 0 0
19 39 1 0 0 0 0
S SKP 5
ID FL5FAGGS0024
FORMULA C27H30O17
EXACTMASS 626.148299534
AVERAGEMASS 626.5169000000001
SMILES O(C(C)5)C(C(O)C(O)C5O)OC(=C2c(c3)cc(OC(C4O)OC(CO)C(C4O)O)c(O)c3O)C(=O)c(c1O)c(O2)cc(c1)O
M END
