Mol:FL3FAACS0056
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-1.5638 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5638 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8627 0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1616 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1616 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8627 1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5395 0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2406 0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2406 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5395 1.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5396 -0.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2647 1.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8627 -0.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9936 1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7082 1.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4226 1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4226 2.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7082 3.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9936 2.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4173 -1.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0485 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2855 -0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3996 0.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -0.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5227 -0.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7831 -2.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9650 -1.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7481 -0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1298 -2.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7402 -2.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0385 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0510 -0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5290 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 -1.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7353 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7199 -3.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6278 -2.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1370 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1370 3.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6302 -2.5652 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
1 12 1 0 0 0 0
3 13 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
14 9 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
20 26 2 0 0 0 0
21 27 1 0 0 0 0
22 28 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 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 28 1 0 0 0 0
25 38 1 0 0 0 0
23 2 1 0 0 0 0
17 39 1 0 0 0 0
34 40 1 0 0 0 0
S SKP 5
ID FL3FAACS0056
FORMULA C27H28O13
EXACTMASS 560.152990982
AVERAGEMASS 560.50342
SMILES c(c5)(ccc(c5)C(=C4)Oc(c(C4=O)3)cc(O)c(c3O)C(C(OC(C(O)2)OC(C)C(C2O)O)1)OC(C)C(=O)C1O)O
M END
