Mol:FL5FCAGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
1.0563 2.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0563 1.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7708 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4853 1.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4853 2.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7708 2.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3726 1.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0871 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0871 0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3726 0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3418 0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8016 1.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5160 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5160 0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8016 0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3726 -0.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2305 1.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0195 0.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0860 2.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8016 -0.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9631 1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9119 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6136 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3801 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5825 1.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8808 1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1143 0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6034 0.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5335 -0.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9119 -0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4032 -0.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9631 1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2967 -1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6068 -2.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6788 -2.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0110 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5362 -0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1889 -1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3622 -1.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5614 -1.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6554 -1.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2031 -2.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2031 -2.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0191 -2.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1869 -1.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6512 -2.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5683 -2.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0191 -2.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6091 -1.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6811 -1.3395 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
18 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
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
26 20 1 0 0 0 0
38 19 1 0 0 0 0
49 43 1 1 0 0 0
48 43 1 1 0 0 0
47 49 1 1 0 0 0
43 44 1 0 0 0 0
49 45 1 0 0 0 0
50 47 1 0 0 0 0
46 51 1 0 0 0 0
48 50 1 0 0 0 0
43 46 1 0 0 0 0
42 47 1 0 0 0 0
S SKP 5
ID FL5FCAGS0010
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES c(c(OC)6)c(O1)c(c(O)c6)C(C(OC(C(O)4)OCC4(O)COC(C(O)5)OCC(O)5CO)=C(c(c3)ccc(c3)OC(O2)C(C(C(O)C2CO)O)O)1)=O
M END
