Mol:FL5FACGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-3.0310 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0310 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3297 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6285 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6285 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3297 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9273 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9273 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9273 -2.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4749 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1896 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9043 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9043 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1896 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4749 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7319 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5909 -1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8468 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3581 -1.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2978 -1.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2431 -1.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7319 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7922 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1586 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2169 -0.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7127 -0.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6188 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3297 -2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1896 2.2457 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
1 18 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
15 29 1 0 0 0 0
3 30 1 0 0 0 0
16 31 1 0 0 0 0
S SKP 5
ID FL5FACGS0002
FORMULA C20H18O11
EXACTMASS 434.084911418
AVERAGEMASS 434.35032
SMILES C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O
M END
