Mol:FL3FAAGS0052
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
0.5128 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5128 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9007 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9007 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5948 -1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2887 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2887 -0.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5948 0.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5948 -1.8835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9824 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6898 -0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3971 0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3971 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6898 1.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9824 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1809 0.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1042 1.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -1.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7255 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0043 -0.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9659 -0.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9640 -0.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6920 0.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7528 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4686 0.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8385 -0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 -0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1592 0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0831 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6499 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5597 -2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8960 -1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9863 -1.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1884 -3.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0838 -2.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7487 -1.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -3.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7441 1.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5375 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5256 1.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2971 2.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1042 1.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2971 3.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5375 3.3797 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
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
15 19 1 0 0 0 0
20 3 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
26 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
35 29 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
31 39 1 0 0 0 0
34 40 1 0 0 0 0
24 18 1 0 0 0 0
30 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
42 47 2 0 0 0 0
S SKP 5
ID FL3FAAGS0052
FORMULA C30H32O17
EXACTMASS 664.163949598
AVERAGEMASS 664.56488
SMILES c(O)(c1)ccc(C(O2)=CC(c(c(O)3)c2cc(OC(C(OC(O5)C(O)C(C(O)C5C)O)4)OC(C(O)C(O)4)COC(=O)CC(O)=O)c3)=O)c1
M END
