Mol:FL5FAAGS0045
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-3.1851 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1851 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4706 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7562 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7562 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4706 1.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3273 1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 -0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8432 1.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8432 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3869 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4706 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8626 3.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8208 1.8884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5615 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1296 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9479 0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1444 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4479 0.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5907 0.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2452 -0.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3618 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2779 -1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4629 -1.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0220 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 -2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2182 -2.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2182 -1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 -1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8160 -1.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8160 -2.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6201 -3.2163 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
20 1 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
27 8 1 0 0 0 0
24 30 1 0 0 0 0
28 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 2 0 0 0 0
32 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 32 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
S SKP 5
ID FL5FAAGS0045
FORMULA C27H22O14
EXACTMASS 570.100955412
AVERAGEMASS 570.45518
SMILES O(C(C(O)2)C(OC(C(=O)3)=C(c(c5)ccc(c5)O)Oc(c4)c3c(O)cc(O)4)OCC2O)C(c(c1)cc(O)c(O)c(O)1)=O
M END
