Mol:FL2F1AGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 55 0 0 0 0 0 0 0 0999 V2000
-3.2879 1.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5753 2.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2847 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5680 0.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8553 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8590 1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1390 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4264 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4300 1.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1463 2.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2237 2.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9398 1.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 2.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 3.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9334 3.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 3.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1390 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9134 2.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4008 3.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4165 0.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2327 0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3302 1.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 2.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0155 2.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9179 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2988 1.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9492 0.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3828 0.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9127 0.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1430 1.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6109 -0.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0943 -1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9134 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0999 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4537 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0981 -0.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4482 0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5935 0.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 -0.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2142 -0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2142 0.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4664 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1933 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6691 -1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4941 -1.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9065 -2.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4940 -2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6690 -2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2566 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8355 -3.4684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 1 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 19 1 0 0 0 0
37 31 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 1 0 0 0
31 32 1 0 0 0 0
37 33 1 0 0 0 0
38 35 1 0 0 0 0
34 39 1 0 0 0 0
36 38 1 0 0 0 0
31 34 1 0 0 0 0
30 35 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 44 1 0 0 0 0
47 50 1 0 0 0 0
S SKP 5
ID FL2F1AGS0008
FORMULA C35H36O15
EXACTMASS 696.2054204819999
AVERAGEMASS 696.65134
SMILES C(O)C(O3)C(C(O)C(C3Oc(c4)ccc(C(O5)CC(c(c6)c5cc(c6)O)=O)c4)OC(C(O)1)OCC1(COC(C=Cc(c2)ccc(c2)O)=O)O)O
M END
