Mol:FL5FA8GL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.3640 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3640 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6627 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9616 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9616 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6627 2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2605 0.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5594 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5594 2.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2605 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2605 0.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1414 2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8559 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5705 2.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5705 3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8559 3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1414 3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6627 0.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7795 -2.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2910 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2304 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 -2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6643 -2.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7247 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8720 -2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7071 0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9586 0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9333 0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7297 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4783 0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5036 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4052 0.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2007 0.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0647 -0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5315 -0.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6029 -1.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6816 -2.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7815 -3.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 -3.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0768 1.0290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5730 3.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0647 2.4770 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
17 41 1 0 0 0 0
1 42 1 0 0 0 0
S SKP 5
ID FL5FA8GL0002
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES O(C1C)C(OCC(O2)C(C(O)C(C2OC(=C4c(c5)c(ccc5)O)C(c(c(O4)3)c(cc(O)c3)O)=O)O)O)C(C(O)C(O)1)O
M END
