Mol:FL5FAAGS0011
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.5353 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5353 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1791 -1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8934 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8934 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1791 0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6078 -1.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3223 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3223 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6078 0.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6078 -1.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7644 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4925 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4925 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7644 1.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1791 -1.8676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2494 0.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2203 1.8675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8769 -1.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5961 0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9340 -0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9806 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0605 0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7290 0.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5632 0.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2203 0.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6967 -0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 -0.3293 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 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 19 1 0 0 0 0
S SKP 5
ID FL5FAAGS0011
FORMULA C20H18O10
EXACTMASS 418.089996796
AVERAGEMASS 418.35092
SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(C(O)C2)O)1)O
M END
</pre>
