Mol:FL3FADGS0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
3.6269 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6269 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3414 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 1.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3414 2.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9124 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4835 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4835 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9124 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 1.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0545 0.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0545 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 -0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 -1.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6599 1.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 -1.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7614 2.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7165 0.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2997 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8037 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0068 -0.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5903 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8691 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6659 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0825 -0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7094 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5125 -0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1323 -1.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5264 -1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7168 -0.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7184 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7184 -2.3778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2784 -2.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6987 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8310 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1626 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2784 -1.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9960 -0.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2997 -0.4543 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
16 19 1 0 0 0 0
5 20 1 0 0 0 0
4 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 18 1 0 0 0 0
40 34 1 1 0 0 0
39 34 1 1 0 0 0
38 40 1 1 0 0 0
34 35 1 0 0 0 0
40 36 1 0 0 0 0
41 38 1 0 0 0 0
37 42 1 0 0 0 0
39 41 1 0 0 0 0
34 37 1 0 0 0 0
38 30 1 0 0 0 0
S SKP 5
ID FL3FADGS0022
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C1OCC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c53)C(=O)C=C(c(c4)cc(OC)c(c4)O)O3)2)O)(C(CO)(CO1)O)O
M END
