Mol:FL5FAAGS0102
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
1.3905 3.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3905 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8195 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8195 3.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 3.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7529 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7529 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4674 2.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1819 2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1819 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4674 0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0385 0.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8963 2.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2823 0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4202 3.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4674 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4990 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9519 -3.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2021 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5476 -3.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1932 -3.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6086 -2.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4337 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8432 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4277 -3.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -3.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4202 -3.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2709 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9115 -1.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2547 -0.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2804 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6360 -0.6142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3228 -0.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6360 -1.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1401 -1.6299 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
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
38 33 1 1 0 0 0
37 33 1 1 0 0 0
36 38 1 1 0 0 0
38 34 1 0 0 0 0
39 36 1 0 0 0 0
37 39 1 0 0 0 0
33 35 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
34 22 1 0 0 0 0
19 36 1 0 0 0 0
S SKP 5
ID FL5FAAGS0102
FORMULA C29H24O12
EXACTMASS 564.126776232
AVERAGEMASS 564.49366
SMILES O(C2CO)C(OC(C5=O)=C(Oc(c54)cc(O)cc4O)c(c3)ccc(c3)O)C(C(O)2)OC(=O)C=Cc(c1)ccc(c1)O
M END
