Mol:FL3FADGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.8185 -1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8185 -1.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1173 -2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5837 -1.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5837 -1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1173 -0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2849 -2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9861 -1.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9861 -1.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2849 -0.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2849 -3.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6870 -0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4015 -1.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1161 -0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1161 0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4015 0.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6870 0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1173 -3.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8308 0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5182 -0.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5632 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1672 1.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7442 1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7442 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1401 0.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5632 1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6374 3.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 2.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2727 0.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3175 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3192 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8308 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8305 0.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7789 0.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3175 1.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3192 1.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2992 0.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3886 1.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2611 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4753 1.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4015 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 2.7531 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
1 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 30 1 0 0 0 0
30 35 1 0 0 0 0
34 29 1 0 0 0 0
31 36 1 0 0 0 0
37 38 1 0 0 0 0
31 37 1 0 0 0 0
39 40 1 0 0 0 0
26 39 1 0 0 0 0
41 42 1 0 0 0 0
16 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 42
M SMT 1 CH2OH
M SBV 1 42 -0.0200 0.5171
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 39 40
M SBL 2 1 44
M SMT 2 CH2OH
M SBV 2 44 -0.3020 -0.6764
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 41 42
M SBL 3 1 46
M SMT 3 OCH3
M SBV 3 46 0.0000 -0.7212
S SKP 5
ID FL3FADGS0008
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES O(C(c(c5)cc(OC)c(c5)O)=4)c(c1C(=O)C4)cc(OC(O2)C(OC(O3)C(O)C(O)(C3)CO)C(O)C(C(CO)2)O)cc1O
M END
