Mol:FL3FAAGS0057
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
0.0632 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0632 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7776 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4921 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4921 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7776 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3499 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0644 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0644 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3499 1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2066 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7776 -1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6512 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8107 1.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9792 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2644 -0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6776 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8771 -0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5917 0.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1786 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0412 0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2062 0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3432 -0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8711 -1.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8894 -0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3327 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3327 -0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1486 -0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3306 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7808 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6979 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1486 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7387 0.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8107 0.7482 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
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
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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 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
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 19 1 0 0 0 0
38 32 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 1 0 0 0
32 33 1 0 0 0 0
38 34 1 0 0 0 0
39 36 1 0 0 0 0
35 40 1 0 0 0 0
37 39 1 0 0 0 0
32 35 1 0 0 0 0
28 36 1 0 0 0 0
S SKP 5
ID FL3FAAGS0057
FORMULA C26H28O14
EXACTMASS 564.147905604
AVERAGEMASS 564.49212
SMILES C(C=4)(=O)c(c3OC4c(c5)ccc(c5)O)c(O)cc(c3)OC(C(O)1)OC(COC(C2O)OCC2(CO)O)C(O)C1O
M END
