Mol:FL5FAGGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
1.7862 1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 3.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 2.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 1.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 2.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 3.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 4.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1786 1.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2251 -0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6378 -1.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1557 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9540 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3668 -0.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5732 -0.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9287 -2.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3810 -1.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1148 -1.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 -0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4561 -2.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8688 -3.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0753 -3.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7230 -3.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1358 -2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3422 -2.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7596 -4.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5501 -3.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3458 -3.2026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0683 -2.9273 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 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
25 32 1 0 0 0 0
24 33 1 0 0 0 0
28 19 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 30 1 0 0 0 0
S SKP 5
ID FL5FAGGS0022
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES O(C(=C(c(c5)cc(c(c(O)5)O)O)4)C(c(c(O4)3)c(cc(c3)O)O)=O)C(C1OC(O2)C(C(O)C(O)C(C)2)O)OC(C)C(C(O)1)O
M END
