Mol:FL7AAAGL0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 55 0 0 0 0 0 0 0 0999 V2000
-3.5563 1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5563 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8553 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1543 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1543 1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8553 2.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4533 0.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7523 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7523 1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4533 2.1921 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0516 2.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6629 1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3774 2.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3774 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6629 3.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0516 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0916 3.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2571 2.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8553 -0.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0786 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0402 -0.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0633 -0.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7655 -0.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0055 -1.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9826 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2804 -1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 0.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1585 -1.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9826 -2.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5672 -3.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3331 -3.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2035 -2.6765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2700 -1.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 -1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6336 -2.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0733 -0.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5050 -1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5316 -1.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2360 -3.4294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3488 0.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9607 0.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7127 0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5781 0.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9661 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2141 0.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3642 0.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2571 1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5288 0.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5233 -2.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9922 -2.9901 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 20 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
35 38 1 0 0 0 0
30 39 1 0 0 0 0
40 41 1 1 0 0 0
41 42 1 1 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
41 46 1 0 0 0 0
43 47 1 0 0 0 0
42 48 1 0 0 0 0
27 40 1 0 0 0 0
24 49 1 0 0 0 0
49 50 1 0 0 0 0
50 31 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAAGL0009
FORMULA C32H39O18
EXACTMASS 711.213639444
AVERAGEMASS 711.64126
SMILES OC(C6O)C(O)C(OC(C)6)OCC(O2)C(C(C(C2Oc(c4)c([o+1]c(c5)c4c(cc5O)O)c(c3)ccc(O)c3)OC(C(O)1)OCC(O)C(O)1)O)O
M END
