Mol:FL5FCGGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
1.4916 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4916 3.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2061 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2061 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0627 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3663 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3663 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0627 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0808 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7952 1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7952 0.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0808 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6518 -0.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5097 2.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0808 -0.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9205 3.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4916 4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 1.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2183 1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7012 -0.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1139 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3203 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8907 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0971 -0.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4927 -1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8350 -1.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5909 -0.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3133 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1502 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7445 -2.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1638 -3.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9887 -3.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3944 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 -2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3803 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2183 -2.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4074 -4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9207 -2.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5155 -3.4857 0.0000 O 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
18 24 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
26 33 1 0 0 0 0
25 34 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 35 1 0 0 0 0
40 41 1 0 0 0 0
39 42 1 0 0 0 0
38 43 1 0 0 0 0
36 44 1 0 0 0 0
44 45 2 0 0 0 0
29 19 1 0 0 0 0
31 44 1 0 0 0 0
S SKP 5
ID FL5FCGGS0003
FORMULA C29H26O16
EXACTMASS 630.122084784
AVERAGEMASS 630.5071399999999
SMILES Oc(c51)cc(OC)cc(OC(=C(C5=O)OC(C3OC(c(c4)cc(O)c(O)c(O)4)=O)OC(C(C3O)O)C)c(c2)cc(c(O)c2O)O)1
M END
