Mol:FL5FAGGS0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
1.7861 1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 2.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 2.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7861 -0.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 3.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 3.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1785 1.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0213 -0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1221 -1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5460 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3677 -1.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5111 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8429 -0.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6595 -1.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2942 -1.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5806 -1.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5254 -1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0773 -3.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3019 -3.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8247 -2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0711 -2.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8465 -2.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3237 -2.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0721 -2.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8126 -3.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4705 -3.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
6 23 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
25 32 1 0 0 0 0
24 33 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
34 42 1 0 0 0 0
37 31 1 0 0 0 0
28 19 1 0 0 0 0
S SKP 5
ID FL5FAGGS0021
FORMULA C26H28O16
EXACTMASS 596.137734848
AVERAGEMASS 596.49092
SMILES c(c1O)c(c(C3=O)c(OC(=C3OC(O5)C(C(C(O)C5C)OC(C(O)4)OCC(O)C4O)O)c(c2)cc(c(c(O)2)O)O)c1)O
M END
