Mol:FL3FAACS0060
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.5403 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5403 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8258 -2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1114 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1114 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8258 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6031 -2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 -1.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6031 -0.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6031 -3.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2545 -0.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4798 0.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9819 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 1.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4798 2.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2483 1.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 2.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7504 2.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9588 1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4072 0.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4347 2.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0673 2.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2843 1.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2843 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7865 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4347 1.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0696 3.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2316 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7354 2.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2866 1.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7270 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4380 1.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4317 2.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1326 1.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6792 -1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4061 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4061 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6792 0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1326 0.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8258 -3.2927 0.0000 O 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
1 12 1 0 0 0 0
14 13 1 1 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 1 0 0 0
18 13 1 1 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
18 21 1 0 0 0 0
15 22 1 0 0 0 0
6 14 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
23 29 1 0 0 0 0
24 30 1 0 0 0 0
28 31 1 0 0 0 0
22 26 1 0 0 0 0
27 32 1 0 0 0 0
21 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 2 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
9 37 1 0 0 0 0
40 43 1 0 0 0 0
3 44 1 0 0 0 0
S SKP 5
ID FL3FAACS0060
FORMULA C29H32O15
EXACTMASS 620.174120354
AVERAGEMASS 620.55538
SMILES C(=O)(C=4)c(c1OC(c(c5)ccc(c5)O)4)c(cc(c(C(O2)C(OC(O3)C(O)C(O)C(O)C(C)3)C(O)C(O)C(COC(C)=O)2)1)O)O
M END
