Mol:FL3FACGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.1062 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1062 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 0.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9971 -1.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 -0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9971 0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9971 -2.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3990 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1135 -0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8280 0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8280 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1135 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3990 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9136 0.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5950 -2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1135 2.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5425 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8521 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0507 -0.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8967 -0.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5924 0.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6020 0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5425 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9221 -0.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9996 -0.7225 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 5
ID FL3FACGS0005
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)cc(c(O)1)O
M END
