Mol:FL5FACGS0101
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
0.7674 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0529 1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0529 2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7674 2.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4819 2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4819 1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6615 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3760 1.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0905 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0905 0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3760 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6615 0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8049 1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5194 0.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5194 0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8049 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3760 -0.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2339 1.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0626 -0.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8049 -1.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0738 2.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7674 3.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 -2.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0388 -2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7139 -1.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0478 -1.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8653 -1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1903 -1.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8900 -1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3850 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1822 -2.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5179 -2.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2039 -1.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6641 -2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2596 -2.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4879 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8924 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7162 -1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1362 -2.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9611 -2.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3661 -1.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9462 -0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1212 -0.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6360 -2.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6360 -3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0622 -2.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2662 -2.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2661 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8399 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9886 -1.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1900 -3.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3048 -3.3375 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
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 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 19 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 38 1 0 0 0 0
41 44 1 0 0 0 0
33 34 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
49 48 1 1 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 53 1 0 0 0 0
48 30 1 0 0 0 0
S SKP 5
ID FL5FACGS0101
FORMULA C35H34O18
EXACTMASS 742.174514284
AVERAGEMASS 742.63366
SMILES C(C(O)1)OC(OCC(C(O)2)OC(OC(C4=O)=C(c(c6)cc(c(c6)O)O)Oc(c5)c4c(cc5O)O)C(OC(=O)C=Cc(c3)ccc(O)c3)C2O)C(O)C1O
M END
