Mol:FL5FADGL0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
54 59 0 0 0 0 0 0 0 0999 V2000
-2.0990 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0990 -0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3878 -0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6767 -0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6767 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3878 0.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0345 -0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7457 -0.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7457 0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0345 0.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0345 -1.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4566 0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1814 0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9063 0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9063 1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1814 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4566 1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8099 0.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3954 -0.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3878 -1.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2899 -2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8608 -3.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6859 -2.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5163 -3.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9455 -2.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1202 -2.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5779 -2.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5271 -0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0980 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9232 -0.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7535 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1828 -0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3574 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5678 -0.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8444 0.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8865 -0.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3973 -0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8115 -1.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3257 -2.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2517 -3.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5163 -3.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5610 1.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3303 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5273 0.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7821 1.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5273 2.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3303 2.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0756 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0105 3.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5158 3.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6935 2.3223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9455 0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1945 2.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 3.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
48 43 1 1 0 0 0
47 49 1 0 0 0 0
46 50 1 0 0 0 0
48 51 1 0 0 0 0
43 52 1 0 0 0 0
44 18 1 0 0 0 0
53 54 1 0 0 0 0
16 53 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 53 54
M SBL 1 1 59
M SMT 1 OCH3
M SBV 1 59 -0.0130 -0.6732
S SKP 5
ID FL5FADGL0028
FORMULA C34H42O20
EXACTMASS 770.226943784
AVERAGEMASS 770.6852799999999
SMILES C(O1)(OC(C(=O)6)=C(Oc(c65)cc(cc5O)OC(C4O)OC(C(O)C4O)C)c(c3)cc(c(c3)O)OC)C(C(O)C(C1COC(C2O)OC(C)C(C2O)O)O)O
M END
