Mol:FL3FAACS0079
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
0.8732 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 -1.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5557 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5557 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2702 -1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9846 -1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9846 -2.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2702 -3.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6303 -1.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2702 -3.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1601 -3.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6550 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3694 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0839 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0839 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3694 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6550 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6991 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4750 0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8948 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6946 -1.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2820 -0.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8620 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5511 1.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9342 0.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2114 -1.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3439 2.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0586 3.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8318 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0411 1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3264 1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5531 2.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6991 1.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3679 3.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9276 3.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5079 3.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 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 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 7 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
31 38 1 0 0 0 0
30 39 1 0 0 0 0
34 27 1 0 0 0 0
S SKP 5
ID FL3FAACS0079
FORMULA C26H28O13
EXACTMASS 548.152990982
AVERAGEMASS 548.49272
SMILES C(C(O)1)(C(C(OC(C5O)COC(C5O)c(c4O)c(O2)c(c(O)c4)C(=O)C=C2c(c3)ccc(O)c3)OC1C)O)O
M END
