Mol:FL3FFAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.3877 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3877 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3134 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3134 0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7155 -1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4166 -0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4166 0.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7155 0.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7155 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8319 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5464 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5464 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8319 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1174 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3134 -1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6876 1.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3317 0.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9603 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2254 -0.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1671 0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8881 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8138 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6876 0.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0809 -0.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4151 -0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3134 1.2914 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 3 1 0 0 0 0
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
6 30 1 0 0 0 0
S SKP 5
ID FL3FFAGS0001
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)ccc(O)c3)C(O)C(C(O)C1)O
M END
