Mol:FL3FABCS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
2.2585 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5441 1.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8296 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8296 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5441 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2585 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1151 1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5993 0.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5993 0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1151 -0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2451 1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1151 -1.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5441 -0.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0403 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7548 0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4692 1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4692 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7548 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0403 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0844 2.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2116 0.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7289 -0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9558 -0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1434 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6261 0.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3993 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7988 0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5311 0.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7246 0.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4917 -0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5240 -0.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7424 2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8748 -1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2874 -1.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4939 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6956 -1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2828 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0764 -1.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6590 -2.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9687 -2.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7424 -1.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5268 -1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 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
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 9 1 0 0 0 0
20 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
36 39 1 0 0 0 0
35 40 1 0 0 0 0
34 41 1 0 0 0 0
33 42 1 0 0 0 0
37 30 1 0 0 0 0
S SKP 5
ID FL3FABCS0008
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES OC(C1c(c5O)c(O)c(C(=O)3)c(c5)OC(c(c4)ccc(OC)c4)=C3)C(OC(C2O)OC(C)C(O)C2O)C(C(O1)CO)O
M END
