Mol:FL5FAAGS0124
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
48 52 0 0 0 0 0 0 0 0999 V2000
2.3392 3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3392 2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0536 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7681 2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7681 3.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0536 3.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6246 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9101 2.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9101 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6246 1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5189 2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2334 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2334 1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5189 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9101 -0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9690 2.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2310 0.7487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3689 3.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5189 -0.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5065 1.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9190 0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1258 1.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3277 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9150 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7084 1.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3117 0.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5365 0.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3689 1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1184 1.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8971 -1.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7102 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 -0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2774 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4642 -0.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3842 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8484 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3655 -1.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0180 -2.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5196 -2.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5436 -0.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7325 -2.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7339 -3.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2866 -2.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2303 -1.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2303 -2.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8494 -1.6325 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
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
26 18 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
35 19 1 0 0 0 0
34 42 1 0 0 0 0
40 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
39 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
S SKP 5
ID FL5FAAGS0124
FORMULA C31H34O17
EXACTMASS 678.179599662
AVERAGEMASS 678.5914600000001
SMILES C(OC(C5COC(C)=O)C(C(O)C(O5)OC(C4=O)=C(Oc(c34)cc(cc(O)3)OC(C2O)OC(C)C(C(O)2)O)c(c1)ccc(c1)O)O)(C)=O
M END
